MECHANISM **** ********************************************************************* **** * **** GAPHASE MECHANISM FOR vapour-phase cracking of * **** multi-component molecular mixtures derived from the * **** fast pyrolysis of cellulose * **** * **** 2013 * **** * **** Koyo Norinaga, Tetsuya Shoji, Shinji Kudo, Jun-ichiro Hayashi* **** Kyushu University, Fukuoka, JAPAN * **** * **** DETCHEM format * **** * **** Kinetic data: * **** k = A * T**b * exp (-Ea/RT) A b Ea * **** (cm,mol,s) - kJ/mol * **** * **** * **** * ********************************************************************* ********************************************* H +O2 +N2 =HO2 +N2 3.750E+020 -1.720 0.0 H2 +OH =H2O +H 2.140E+008 1.5 14.361 H2 +O2 =OH +OH 1.700E+013 0.0 200.045 H +O2 =OH +O 1.910E+014 0.0 68.831 H +O2 +M(2) =HO2 +M(2) 1.410E+018 -0.8 0.000 H +H +M(1) =H2 +M(1) 1.000E+018 -1.0 0.000 H +H +H2 =H2 +H2 9.200E+016 -0.6 0.000 H +H +H2O =H2 +H2O 6.000E+019 -1.3 0.000 H +H +CO2 =H2 +CO2 5.490E+020 -2.0 0.000 H +OH +M(2) =H2O +M(2) 2.210E+022 -2.0 0.000 H +O +M(2) =OH +M(2) 6.020E+016 -0.6 0.000 OH +H2O2 =H2O +HO2 7.080E+012 0.0 5.987 OH +OH =O +H2O 1.230E+004 2.6 -7.863 O +HO2 =OH +O2 1.740E+013 0.0 -1.675 O +H2 =OH +H 5.130E+004 2.7 26.335 O +O +M(2) =O2 +M(2) 5.040E+013 0.0 -7.494 O +OH +M(1) =HO2 +M(1) 1.000E+017 0.0 0.000 HO2 +H =H2O +O 3.000E+013 0.0 4.480 HO2 +H =H2 +O2 6.610E+013 0.0 8.918 HO2 +H =OH +OH 1.400E+014 0.0 4.492 HO2 +OH =H2O +O2 7.500E+012 0.0 0.000 HO2 +HO2 =H2O2 +O2 2.000E+012 0.0 0.000 H2O2 +M(2) =OH +OH +M(2) 1.210E+017 0.0 190.541 H2O2 +H =HO2 +H2 4.790E+013 0.0 33.285 H2O2 +H =OH +H2O 1.000E+013 0.0 15.031 H2O2 +O =OH +HO2 9.550E+006 2.0 16.622 H2O2 +O =O2 +H2O 9.550E+006 2.0 16.622 HCO +O =CO2 +H 3.000E+013 0.0 0.000 HCO +O2 =CO2 +OH 3.310E+012 -0.4 0.000 HCO +HO2 =CO2 +OH +H 3.000E+013 0.0 0.000 HCO +CH3O =CH3OH +CO 9.040E+013 0.0 0.000 HCO +HCO =CH2O +CO 4.520E+013 0.0 0.000 HCO +O2 =CO +HO2 3.300E+013 -0.4 0.000 HCO +OH =CO +H2O 3.020E+013 0.0 0.000 HCO +M(1) =H +CO +M(1) 2.500E+014 0.0 70.347 HCO +H =CO +H2 9.040E+013 0.0 0.000 HCO +O =CO +OH 3.000E+013 0.0 0.000 HCO +HCO =CO +CO +H2 3.010E+012 0.0 0.000 CO +O +M(2) =CO2 +M(2) 1.650E+015 0.0 12.560 ***** CO +OH =CO2 +H 6.320E+006 1.5 -2.081 CO +OH =CO2 +H 3.250E+010 1.5 -2.081 CO +O2 =CO2 +O 2.510E+012 0.0 199.668 CO +HO2 =CO2 +OH 6.030E+013 0.0 96.087 CH +H2 =CH3 1.320E+027 -5.0 11.597 CH +H2 =HCH +H 2.480E+015 -0.4 12.142 CH +O =C +OH 1.520E+013 0.0 19.812 CH +O =CO +H 5.700E+013 0.0 0.000 CH +O2 =CO +OH 3.300E+013 0.0 0.000 CH +O2 =HCO +O 3.300E+013 0.0 0.000 CH +OH =HCO +H 3.000E+013 0.0 0.000 CH +OH =C +H2O 4.000E+007 2.0 12.560 CH +CO2 =HCO +CO 3.400E+012 0.0 2.889 CH +H =C +H2 1.500E+014 0.0 0.000 CH +H2O =CH2O +H 1.170E+015 -0.8 0.000 CH +H2O =CH2OH 5.710E+012 0.0 -3.161 C +O2 =CO +O 2.000E+013 0.0 0.000 C +OH =CO +H 5.000E+013 0.0 0.000 CH2O +OH =HCO +H2O 3.430E+009 1.2 -1.871 CH2O +H =HCO +H2 2.190E+008 1.8 12.560 CH2O +M(1) =HCO +H +M(1) 3.310E+016 0.0 339.131 CH2O +O =HCO +OH 1.800E+013 0.0 12.895 CH2O +O2 =HO2 +HCO 1.230E+006 3.0 217.965 CH2O +HO2 =HCO +H2O2 4.400E+006 2.0 50.242 CH2 +CH4 =CH3 +CH3 4.000E+013 0.0 0.000 CH2 +H2 =CH3 +H 7.000E+013 0.0 0.000 CH2 +H2O =HCH +H2O 3.000E+013 0.0 0.000 CH2 +H =HCH +H 2.000E+014 0.0 0.000 CH2 +O =H +H +CO 3.000E+013 0.0 0.000 CH2 +O =H2 +CO 7.830E+012 0.0 0.000 CH2 +O2 =CO2 +H +H 7.830E+012 0.0 0.000 CH2 +O2 =O +CH2O 7.830E+012 0.0 0.000 CH2 +O2 =H2 +CO2 7.830E+012 0.0 0.000 CH2 +O2 =H +CO +OH 7.830E+012 0.0 0.000 CH2 +OH =CH2O +H 3.010E+013 0.0 0.000 CH2 +CO2 =CH2O +CO 3.000E+012 0.0 0.000 CH2 +HO2 =CH2O +OH 3.010E+013 0.0 0.000 CH2 +H2O2 =CH3O +OH 3.010E+013 0.0 0.000 CH2 +HCO =CO +CH3 1.810E+013 0.0 0.000 CH2 +CH2O =HCO +CH3 1.200E+012 0.0 0.000 CH2 +O =CH +OH 3.000E+014 0.0 49.919 HCH +O =CO +H +H 5.000E+013 0.0 0.000 HCH +O =CO +H2 3.000E+013 0.0 0.000 HCH +O2 =CO2 +H +H 1.600E+012 0.0 4.187 HCH +O2 =CH2O +O 5.000E+013 0.0 37.681 HCH +O2 =CO2 +H2 6.900E+011 0.0 2.093 HCH +O2 =CO +H2O 1.900E+010 0.0 -4.187 HCH +O2 =CO +OH +H 8.600E+010 0.0 -2.093 HCH +O2 =HCO +OH 4.300E+010 0.0 -2.093 HCH +OH =CH +H2O 1.130E+007 2.0 12.560 HCH +OH =CH2O +H 2.500E+013 0.0 0.000 HCH +CO2 =CH2O +CO 1.100E+011 0.0 4.187 CH2 +M(3) =HCH +M(3) 1.000E+013 0.0 0.000 HCH +HCO =CH3 +CO 1.810E+013 0.0 0.000 HCH +CH3O =CH3 +CH2O 1.810E+013 0.0 0.000 CH3 +M(1) =HCH +H +M(1) 2.720E+036 -5.3 490.207 CH3 +H +M(1) =CH4 +M(1) 6.190E+023 -1.8 0.000 CH3 +H =HCH +H2 6.030E+013 0.0 63.233 CH3 +O =CH2O +H 7.170E+013 0.0 0.000 CH3 +O =HCO +H2 1.260E+013 0.0 0.000 CH3 +O =CH3O 7.960E+015 -2.1 2.608 CH3 +O2 =CH3O +O 7.290E+011 0.4 114.572 CH3 +OH =CH3OH 2.240E+040 -8.2 48.873 CH3 +OH =CH2OH +H 1.090E+011 0.4 -2.964 CH3 +OH =CH3O +H 5.740E+012 -0.2 58.326 CH3 +OH =HCH +H2O 7.500E+006 2.0 20.934 CH3 +OH =CH2O +H2 3.190E+012 -0.5 45.259 CH3 +HO2 =CH3O +OH 1.810E+013 0.0 0.000 CH3 +HCO =CH4 +CO 2.650E+013 0.0 0.000 CH3 +CH2OH =CH4 +CH2O 2.410E+012 0.0 0.000 CH3 +CH3O =CH4 +CH2O 2.410E+013 0.0 0.000 CH3 +CH2O =CH4 +HCO 7.770E-008 6.1 8.248 CH3 +CH3 =C2H5 +H 1.670E+013 -0.3 54.805 CH3 +CH3 =C2H4 +H2 1.000E+016 0.0 134.103 CH3 +CH3 =C2H6 3.620E+057 -13.4 86.918 CH2OH +M(1) =CH2O +H +M(1) 1.670E+024 -2.5 143.147 CH2OH +O =CH2O +OH 1.000E+013 0.0 0.000 CH2OH +O2 =CH2O +HO2 2.410E+014 0.0 20.934 CH2OH +OH =CH2O +H2O 1.000E+013 0.0 0.000 CH2OH +H =CH2O +H2 2.000E+013 0.0 0.000 CH2OH +HO2 =CH2O +H2O2 1.200E+013 0.0 0.000 CH2OH +HCO =CH3OH +CO 1.200E+014 0.0 0.000 CH2OH +CH2O =CH3OH +HCO 5.540E+003 2.8 23.789 CH2OH +CH2OH =CH3OH +CH2O 4.820E+012 0.0 0.000 CH2OH +HCO =CH2O +CH2O 1.810E+014 0.0 0.000 CH3O +M(1) =CH2O +H +M(1) 5.420E+013 0.0 56.480 CH3O +H =CH2O +H2 2.000E+013 0.0 0.000 CH3O +OH =CH2O +H2O 1.000E+013 0.0 0.000 CH3O +O =CH2O +OH 1.000E+013 0.0 0.000 CH3O +O2 =CH2O +HO2 6.300E+010 0.0 10.886 CH3O +HO2 =CH2O +H2O2 3.010E+011 0.0 0.000 CH3O +CO =CH3 +CO2 1.570E+013 0.0 49.392 CH3OH +M(1) =CH3 +OH +M(1) 3.500E+016 0.0 278.188 CH3OH +M(1) =CH2OH +H +M(1) 1.750E+015 0.0 278.188 CH3OH +M(1) =CH2 +H2O +M(1) 7.000E+015 0.0 278.188 CH3OH +CH3 =CH2OH +CH4 3.190E+001 3.2 30.028 CH3OH +CH3 =CH3O +CH4 1.450E+001 3.1 29.035 CH3OH +HO2 =H2O2 +CH2OH 9.640E+010 0.0 52.666 CH3OH +O =OH +CH2OH 3.800E+005 2.5 12.895 CH3OH +O =OH +CH3O 1.000E+013 0.0 19.611 CH3OH +O2 =CH2OH +HO2 2.050E+013 0.0 187.221 CH3OH +OH =H2O +CH2OH 1.000E+013 0.0 7.105 CH3OH +OH =H2O +CH3O 1.000E+013 0.0 7.105 CH3OH +CH2OH =CH3OH +CH3O 7.830E+009 0.0 50.501 CH3OH +H =CH2OH +H2 3.980E+013 0.0 25.519 CH3OH +H =CH3O +H2 3.980E+013 0.0 25.519 CH3OH +HCH =CH2OH +CH3 1.580E+012 0.0 24.015 CH4 +O2 =CH3 +HO2 7.940E+013 0.0 234.461 CH4 +H =CH3 +H2 1.480E+014 0.0 56.878 CH4 +OH =CH3 +H2O 1.570E+007 1.8 11.639 CH4 +O =CH3 +OH 6.920E+008 1.6 35.546 CH4 +HO2 =CH3 +H2O2 1.810E+011 0.0 77.791 C2O +H =CH +CO 5.000E+013 0.0 0.000 C2O +O =CO +CO 5.000E+013 0.0 0.000 C2O +OH =CO +CO +H 2.000E+013 0.0 0.000 C2O +O2 =CO +CO +O 2.000E+013 0.0 0.000 C2 +OH =C2O +H 5.000E+013 0.0 0.000 C2 +O2 =CO +CO 5.000E+013 0.0 0.000 C2H +M(1) =C2 +H +M(1) 4.680E+016 0.0 519.163 C2H +O =CO +CH 5.000E+013 0.0 0.000 C2H +O2 =HCO +CO 2.410E+012 0.0 0.000 C2H +O2 =H +CO +CO 3.520E+013 0.0 0.000 C2H +OH =CH2 +CO 1.810E+013 0.0 0.000 C2H +OH =C2 +H2O 4.000E+007 2.0 33.494 C +HCH =C2H +H 5.000E+013 0.0 0.000 CH +HCH =C2H +H +H 5.490E+022 -2.4 48.232 C2 +H2 =C2H +H 4.000E+005 2.4 4.187 HCCO +H =CH2 +CO 1.000E+014 0.0 0.000 HCCO +O =CO +CO +H 1.000E+014 0.0 0.000 HCCO +H =HCCOH 1.810E+039 -8.0 34.960 HCCO +OH =C2O +H2O 3.000E+013 0.0 0.000 HCCO +O2 =CO +CO +OH 1.460E+012 0.0 10.467 HO2 +C2H =HCCO +OH 1.810E+013 0.0 0.000 C2H +O2 =HCCO +O 5.000E+013 0.0 6.280 C2H +OH =HCCO +H 2.000E+013 0.0 0.000 CH2CO +M(4) =HCH +CO +M(4) 3.600E+015 0.0 248.005 CH2CO +O =HCO +HCO 2.000E+013 0.0 9.600 CH2CO +O =CH2 +CO2 1.750E+012 0.0 5.652 CH2CO +H =HCCO +H2 5.000E+013 0.0 33.494 CH2CO +O =HCCO +OH 1.000E+013 0.0 33.494 CH2O +CH =CH2CO +H 9.460E+013 0.0 -2.156 CH2 +CO =CH2CO 6.050E+008 0.0 0.000 CH2CO +OH =HCCO +H2O 7.500E+012 0.0 8.374 CH2CO +OH =CH2O +HCO 2.800E+013 0.0 0.000 CH2CO +OH =CH3O +CO 2.800E+013 0.0 0.000 HCCOH +H =CH2CO +H 1.000E+013 0.0 0.000 C2H2 +M(1) =C2H +H +M(1) 4.200E+016 0.0 447.988 C2H2 +O2 =C2H +HO2 1.200E+013 0.0 311.812 C2H2 +H =C2H +H2 6.030E+013 0.0 116.477 C2H2 +H =CH +CH2 1.020E+016 0.0 523.668 ***** C2H2 +H2 =C2H4 1.200E+028 -5.0 194.309 C2H2 +H2 =C2H4 3.010E+011 0.0 163.000 C2H2 +OH =C2H +H2O 3.370E+007 2.0 58.615 C2H2 +OH =HCCOH +H 5.040E+005 2.3 56.522 C2H2 +OH =CH2CO +H 2.180E-004 4.5 -4.187 C2H2 +OH =CH3 +CO 4.830E-004 4.0 -8.374 CH3OH +C2H =CH3O +C2H2 1.210E+012 0.0 0.000 CH3OH +C2H =CH2OH +C2H2 6.030E+012 0.0 0.000 C2H +CH4 =C2H2 +CH3 1.810E+012 0.0 2.081 HCCO +CH =C2H2 +CO 5.000E+013 0.0 0.000 HCCO +HCCO =C2H2 +CO +CO 1.000E+013 0.0 0.000 HO2 +C2H2 =CH2CO +OH 6.030E+009 0.0 33.281 HCO +C2H =C2H2 +CO 6.030E+013 0.0 0.000 C +CH3 =C2H2 +H 5.000E+013 0.0 0.000 CH2 +C2H2 =HCH +C2H2 4.000E+013 0.0 0.000 CH2 +CH2 =C2H2 +H2 3.010E+013 0.0 0.000 CH3O +C2H =CH2O +C2H2 2.410E+013 0.0 0.000 HCH +HCH =C2H2 +H2 4.020E+014 -0.5 2.010 CH +HCH =C2H2 +H 2.500E+012 -3.7 17.543 C2H +CH2OH =C2H2 +CH2O 3.610E+013 0.0 0.000 C2H +C2H =C2H2 +C2 1.810E+012 0.0 0.000 C2H +CH2 =CH +C2H2 1.810E+013 0.0 0.000 C2H2 +O =C2H +OH 3.160E+015 -0.6 62.802 C2H2 +O =HCH +CO 1.400E+006 2.1 6.540 C2H2 +O =HCCO +H 5.800E+006 2.1 6.540 HCH +C2H =CH +C2H2 1.810E+013 0.0 0.000 ***** C2H3 =C2H2 +H 3.930E+033 -6.7 188.867 C2H3 =C2H2 +H 3.900E+014 0.0 159.000 C2H3 +H =C2H2 +H2 1.210E+013 0.0 0.000 C2H3 +O =CH2CO +H 3.000E+013 0.0 0.000 C2H3 +O =C2H2 +OH 3.000E+013 0.0 0.000 C2H3 +O =CO +CH3 3.000E+013 0.0 0.000 CH +HCH =C2H3 3.090E+014 -2.0 2.596 CH +CH3 =C2H3 +H 3.000E+013 0.0 0.000 CH2 +CH2 =C2H3 +H 2.000E+013 0.0 0.000 HCH +HCH =C2H3 +H 7.120E+021 -3.9 10.300 CH2OH +C2H2 =C2H3 +CH2O 7.300E+011 0.0 37.698 C2H3 +O =HCO +CH2 3.000E+013 0.0 0.000 C2H3 +O2 =CH2O +HCO 4.580E+016 -1.4 4.250 C2H3 +O2 =C2H2 +HO2 1.340E+006 1.6 -1.604 C2H3 +OH =C2H2 +H2O 2.000E+013 0.0 0.000 C2H3 +C2H =C2H2 +C2H2 3.000E+013 0.0 0.000 C2H3 +CH =HCH +C2H2 5.000E+013 0.0 0.000 C2H3 +CH3 =C2H2 +CH4 1.990E+013 0.0 0.000 C2H3 +CH2 =CH3 +C2H2 1.810E+013 0.0 0.000 HCH +C2H3 =CH3 +C2H2 1.810E+013 0.0 0.000 C2H4 +H =C2H3 +H2 5.070E+007 1.9 54.223 C2H4 +H =C2H5 8.420E+008 1.5 4.145 HCH +HCH =C2H4 1.110E+020 -3.4 8.667 HCH +CH3 =C2H4 +H 4.200E+013 0.0 0.000 CH3O +C2H3 =CH2O +C2H4 2.410E+013 0.0 0.000 CH2CO +CH2 =C2H4 +CO 1.600E+014 0.0 0.000 C2H3 +H =C2H4 2.480E+033 -6.2 23.739 C2H3 +H2O2 =C2H4 +HO2 1.210E+010 0.0 -2.495 C2H3 +CH2O =C2H4 +HCO 5.430E+003 2.8 24.543 C2H3 +CH2OH =C2H4 +CH2O 3.010E+013 0.0 0.000 CH3 +CH2 =C2H4 +H 4.940E+013 -0.1 0.394 CH +CH4 =C2H4 +H 6.000E+013 0.0 0.000 C2H4 +O =CH3 +HCO 1.600E+009 1.2 3.123 C2H4 +OH =C2H3 +H2O 2.020E+013 0.0 24.932 C2H4 +OH =CH3 +CH2O 1.050E+012 0.0 -3.835 C2H4 +O2 =C2H3 +HO2 4.220E+013 0.0 241.135 C2H4 +CH3 =C2H3 +CH4 4.160E+012 0.0 46.591 C2H4 +C2H2 =C2H3 +C2H3 2.410E+013 0.0 286.210 C2H3 +HCO =C2H4 +CO 9.040E+013 0.0 0.000 C2H5 +O =C2H4 +OH 5.000E+013 0.0 0.000 C2H5 +O =CH2O +CH3 1.610E+013 0.0 0.000 HO2 +C2H5 =C2H4 +H2O2 3.010E+011 0.0 0.000 HCH +CH3 =C2H5 2.530E+020 -3.5 8.499 CH3 +C2H5 =C2H4 +CH4 1.950E+013 -0.5 0.000 CH3 +CH2 =C2H5 1.110E+019 -3.2 7.453 C2H +C2H5 =C2H2 +C2H4 1.810E+012 0.0 0.000 C2H5 +H =C2H4 +H2 1.810E+012 0.0 0.000 C2H5 +O2 =C2H4 +HO2 1.920E+007 1.0 -8.520 C2H4 +C2H4 =C2H5 +C2H3 4.820E+014 0.0 299.519 C2H5 +OH =C2H4 +H2O 2.410E+013 0.0 0.000 C2H5 +HO2 =CH3 +CH2O +OH 2.400E+013 0.0 0.000 CH2 +C2H5 =C2H4 +CH3 9.030E+012 0.0 0.000 HCH +C2H5 =CH3 +C2H4 1.810E+013 0.0 0.000 C2H6 +CH3 =C2H5 +CH4 5.500E-001 4.0 34.750 C2H6 +H =C2H5 +H2 5.400E+002 3.5 21.813 C2H6 +O =C2H5 +OH 3.000E+007 2.0 21.415 C2H6 +OH =C2H5 +H2O 8.700E+009 1.1 7.578 C2H6 +O2 =C2H5 +HO2 6.030E+013 0.0 217.169 C2H6 +HO2 =C2H5 +H2O2 2.950E+011 0.0 62.551 HCO +C2H5 =C2H6 +CO 1.210E+014 0.0 0.000 C2H4 +C2H5 =C2H3 +C2H6 6.320E+002 3.1 75.404 CH2 +C2H6 =CH3 +C2H5 1.200E+014 0.0 0.000 C2H6 +HCO =C2H5 +CH2O 4.700E+004 2.7 76.338 C2H5 +C2H5 =C2H6 +C2H4 1.390E+012 0.0 0.000 C2H3 +C2H5 =C2H6 +C2H2 4.820E+011 0.0 0.000 C2H2 +C2H5 =C2H6 +C2H 2.710E+011 0.0 98.164 CH3 +CH3O =CH3OCH3 3.670E+051 -11.7 67.868 CH3OCH3 +H =CH3OCH2 +H2 1.900E+013 0.0 21.629 CH3OCH3 +OH =CH3OCH2 +H2O 6.270E+012 0.0 3.094 CH3OCH3 +O =CH3OCH2 +OH 5.000E+013 0.0 19.138 CH3OCH3 +CH3 =CH3OCH2 +CH4 3.550E+012 0.0 49.404 CH3OCH2 =CH3 +CH2O 1.600E+013 0.0 106.512 CH +CH2O =CH2CHO 9.640E+013 0.0 -2.165 C2H4 +O =CH2CHO +H 1.210E+006 2.1 0.000 C3H6 +O =CH2CHO +CH3 1.080E+006 2.1 -3.329 C4H8 +O =CH2CHO +C2H5 5.140E+006 2.0 -2.495 CH2CHO =CH2CO +H 1.580E+013 0.0 146.412 CH2CHO =CH3CO 1.000E+013 0.0 197.198 CH3CO =CH3 +CO 8.740E+042 -8.6 93.885 CH3CO +CH3 =CH3COCH3 4.040E+015 -0.8 0.000 CH3CO +CH3 =CH2CO +CH4 6.060E+014 -0.8 0.000 CH3CO +O =CH3 +CO2 9.640E+012 0.0 0.000 CH3CO +OH =CH2CO +H2O 1.210E+013 0.0 0.000 CH3CO +H =CH3 +HCO 3.300E+013 0.0 0.000 IC3H7 +HO2 =CH3CHO +CH3 +OH 2.410E+013 0.0 0.000 IC3H7 +O =CH3CHO +CH3 4.820E+013 0.0 0.000 IC3H7 +O =CH3COCH3+H 4.820E+013 0.0 0.000 C2H4 +HO2 =CH3CHO +OH 6.030E+009 0.0 33.281 C2H5 +O =CH3CHO +H 6.620E+013 0.0 0.000 C2H5 +O2 =CH3CHO +OH 1.600E+014 -1.2 43.505 C2H3 +OH =CH3CHO 3.010E+013 0.0 0.000 CH3CHO =CH3 +HCO 7.000E+015 0.0 341.953 CH3CHO +H =CH3CO +H2 4.000E+013 0.0 17.614 CH3CHO +OH =CH3CO +H2O 1.000E+013 0.0 0.000 CH3CHO +O =CH3CO +OH 5.000E+012 0.0 7.503 CH3CHO +CH3 =CH3CO +CH4 1.990E-006 5.6 10.316 CH3CHO +CH3 =CH3COCH3+H 1.660E+010 0.0 51.908 C3H2 +O =C2H +HCO 6.800E+013 0.0 0.000 C3H2 +O =C2H2 +CO 1.000E+014 0.0 0.000 C3H2 +OH =C2H2 +HCO 5.000E+013 0.0 0.000 C3H2 +OH =CHCHCHO 3.010E+013 0.0 0.000 H2CCCH =C3H2 +H 5.200E+012 0.0 328.442 H2CCCH +H =C3H2 +H2 5.000E+013 0.0 4.187 H2CCCH +OH =C3H2 +H2O 2.000E+013 0.0 0.000 H2CCCH +O =C3H2 +OH 3.200E+012 0.0 0.000 CH3 +C2H =H2CCCH +H 2.410E+013 0.0 0.000 C2H +CH2OH =H2CCCH +OH 1.210E+013 0.0 0.000 C2H +C2H5 =CH3 +H2CCCH 1.810E+013 0.0 0.000 C2H2 +HCCO =H2CCCH +CO 1.100E+011 0.0 12.560 H2CCCH +O2 =CH2CO +HCO 3.000E+010 0.0 12.008 CH2 +C2H2 =H2CCCH +H 1.000E+022 -2.5 18.564 HCH +C2H2 =H2CCCH +H 1.200E+013 0.0 27.633 H2CCCH +O =C2H +CH2O 7.170E+013 0.0 0.000 H2CCCH +O =HCCCHO +H 6.030E+013 0.0 0.000 C3H2 +O =HCCCHO 6.620E+012 0.0 12.812 CHCHCHO +H =HCCCHO +H2 1.210E+013 0.0 0.000 CHCHCHO +OH =HCCCHO +H2O 2.000E+013 0.0 0.000 C2H +CH3CO =CH3 +HCCCO 1.810E+013 0.0 0.000 HCCCHO =C2H2 +CO 8.510E+014 0.0 297.012 HCCCHO +O =HCCCO +OH 5.680E+012 0.0 6.456 HCCCHO +OH =HCCCO +H2O 1.600E+013 0.0 0.000 C2H +CO =HCCCO 1.510E+011 0.0 20.139 H2CCCH +OH =CH2CHCHO 3.010E+013 0.0 0.000 HCO +C2H3 =CH2CHCHO 1.810E+013 0.0 0.000 C3H5 +O =CH2CHCHO+H 6.030E+013 0.0 0.000 C3H4 +O =CH2CHCO +H 6.620E+012 0.0 12.812 C2H3 +CH3CO =CH3 +CH2CHCO 1.810E+013 0.0 0.000 CH2CHCHO+C2H5 =CH2CHCO +C2H6 1.200E+013 0.0 52.950 CH2CHCHO+IC3H7 =CH2CHCO +C3H8 1.020E+010 0.0 28.638 C2H3 +CO =CH2CHCO 1.510E+011 0.0 20.139 CH2CHCHO+H =CHCHCHO +H2 5.070E+007 1.9 54.223 CH2CHCHO+OH =CHCHCHO +H2O 2.020E+013 0.0 24.932 CH2CHCHO+CH3 =CHCHCHO +CH4 4.160E+012 0.0 46.591 CHCHCHO +H =CH2CHCHO 5.360E+014 0.0 4.111 CHCHCHO =C2H2 +HCO 2.950E+012 0.0 46.515 NC3H7 +O =C2H5CHO +H 9.640E+013 0.0 0.000 NC3H7 +O2 =C2H5CHO +OH 1.100E+008 0.0 0.000 C2H5 +HCO =C2H5CHO 1.810E+013 0.0 0.000 C3H5 +OH =C2H5CHO 3.010E+013 0.0 0.000 C2H5 +CO =C2H5CO 1.510E+011 0.0 20.134 C3H4 =H2CCCH +H 2.300E+012 0.0 291.753 C3H4P =H2CCCH +H 1.340E+012 0.0 292.833 CH +C2H4 =C3H4 +H 7.170E+016 -0.8 5.275 CH2 +C2H2 =C3H4CY 5.340E+034 -7.1 24.409 CH2 +C2H2 =C3H4 1.040E+037 -7.4 28.261 CH2 +C2H2 =C3H4P 3.710E+037 -7.5 28.680 C3H4CY =C3H4 1.510E+014 0.0 211.015 C3H4CY =C3H4P 7.080E+013 0.0 182.963 C3H4 +O =CO +C2H4 1.500E+013 0.0 8.805 C3H4 +OH =HCO +C2H4 1.000E+012 0.0 0.000 C3H4 +CH3 =H2CCCH +CH4 2.000E+012 0.0 32.238 C3H4P +CH3 =H2CCCH +CH4 2.000E+012 0.0 32.238 C3H4 +H =C2H2 +CH3 2.000E+013 0.0 10.048 C2H +CH3 =C3H4P 8.270E+046 -10.0 193.974 C2H3 +HCH =C3H4 +H 3.000E+013 0.0 0.000 C3H4P +C2H =C2H2 +H2CCCH 1.000E+013 0.0 0.000 C3H4 +C2H =C2H2 +H2CCCH 1.000E+013 0.0 0.000 C3H4 +O =CH2O +C2H2 9.000E+012 0.0 7.829 C3H4 +O =HCO +C2H3 9.000E+012 0.0 7.829 C3H4P +O =CH2O +C2H2 7.500E+012 0.0 8.801 C3H4P +O =HCO +C2H3 7.500E+012 0.0 8.801 C3H4 +OH =CH2CO +CH3 3.370E+012 0.0 -1.273 C3H4P +OH =CH2CO +CH3 4.280E+011 0.0 -3.529 C3H4 +H =H2CCCH +H2 3.000E+007 2.0 20.934 C3H4 +OH =H2CCCH +H2O 2.000E+007 2.0 4.187 C3H4P +H =H2CCCH +H2 3.000E+007 2.0 20.934 C3H4P +OH =H2CCCH +H2O 2.000E+007 2.0 4.187 CH3 +C2H2 =C3H4P +H 1.920E+004 2.4 53.976 CH +C2H4 =C3H5 2.420E+037 -8.0 20.264 C3H4 +H =C3H5 1.200E+011 0.7 12.590 C3H5 +OH =C3H4 +H2O 6.030E+012 0.0 0.000 C3H5 +CH2 =C4H613 +H 3.010E+013 0.0 0.000 C2H +C3H5 =C2H2 +C3H4 1.500E-001 0.0 0.000 C2H +C3H5 =C2H3 +H2CCCH 2.000E+001 0.0 0.000 C3H5 +C2H3 =C3H4 +C2H4 2.410E+012 0.0 0.000 C3H5 +C2H5 =C3H4 +C2H6 9.640E+011 0.0 -0.548 C2H3 +CH2OH =C3H5 +OH 1.210E+013 0.0 0.000 C2H4 +HCH =C3H5 +H 3.190E+012 0.0 22.129 CH3 +C2H2 =C3H5 1.400E+004 2.2 69.082 C2H3 +CH3 =C3H5 +H 7.200E+013 0.0 0.000 C3H5 +H =C3H6 5.800E+011 0.2 -0.214 C3H6 +HO2 =C3H5 +H2O2 9.640E+003 2.6 58.238 C3H6 +CH3 =C3H5 +CH4 2.210E+000 3.5 23.760 C3H6 +O =C3H5 +OH 6.030E+010 0.7 31.958 C3H6 +O =C2H5 +HCO 1.210E+011 0.1 37.514 C3H6 +O2 =C3H5 +HO2 6.030E+013 0.0 199.262 C3H6 +CH2OH =C3H5 +CH3OH 6.030E+001 3.0 50.196 C3H6 +CH3O =C3H5 +CH3OH 9.000E+001 3.0 50.187 C3H6 +C2H =C3H4P +C2H3 1.210E+013 0.0 0.000 C3H6 +CH2 =C3H5 +CH3 7.230E+011 0.0 25.925 C3H6 +HCO =C3H5 +CH2O 1.080E+007 1.9 71.201 C3H6 +C2H5 =C3H5 +C2H6 2.230E+000 3.5 27.788 C3H6 +C2H3 =C3H5 +C2H4 2.210E+000 3.5 19.603 C3H5 +HCO =C3H6 +CO 6.030E+013 0.0 0.000 C3H5 +CH2OH =C3H6 +CH2O 1.810E+013 0.0 0.000 C3H5 +CH3O =C3H6 +CH2O 3.010E+013 0.0 0.000 C3H5 +C2H3 =C3H6 +C2H2 4.820E+012 0.0 0.000 C3H5 +C2H5 =C3H6 +C2H4 2.590E+012 0.0 -0.548 C3H5 +C3H5 =C3H4 +C3H6 8.430E+010 0.0 -1.097 CH2 +C2H5 =C3H6 +H 9.030E+012 0.0 0.000 CH2 +C2H4 =C3H6 9.030E+013 0.0 0.000 NC3H7 +H =C3H6 +H2 1.810E+012 0.0 0.000 NC3H7 +OH =C3H6 +H2O 2.410E+013 0.0 0.000 NC3H7 +HCH =C3H6 +CH3 1.810E+012 0.0 0.000 NC3H7 +CH3 =C3H6 +CH4 1.140E+013 -0.3 0.000 NC3H7 +O2 =C3H6 +HO2 1.000E+012 0.0 21.018 NC3H7 +CH2OH =C3H6 +CH3OH 4.820E+011 0.0 0.000 NC3H7 +C2H =C3H6 +C2H2 6.030E+012 0.0 0.000 NC3H7 +C2H3 =C3H6 +C2H4 1.210E+012 0.0 0.000 NC3H7 +C2H5 =C3H6 +C2H6 1.450E+012 0.0 0.000 NC3H7 +C3H5 =C3H6 +C3H6 1.450E+012 0.0 -0.548 IC3H7 +H =C3H6 +H2 3.610E+012 0.0 0.000 IC3H7 +CH3 =C3H6 +CH4 9.410E+010 0.7 0.000 IC3H7 +O2 =C3H6 +HO2 1.260E+011 0.0 0.000 IC3H7 +OH =C3H6 +H2O 2.410E+013 0.0 0.000 IC3H7 +C2H =C3H6 +C2H2 3.610E+012 0.0 0.000 IC3H7 +CH2OH =C3H6 +CH3OH 2.890E+012 0.0 0.000 IC3H7 +C2H3 =C3H6 +C2H4 1.520E+014 -0.7 0.000 IC3H7 +C2H5 =C3H6 +C2H6 2.300E+013 -0.3 0.000 IC3H7 +C3H5 =C3H6 +C3H6 2.290E+013 -0.3 -0.548 NC3H7 =C2H4 +CH3 1.200E+013 0.0 126.873 IC3H7 =CH3 +C2H4 1.000E+012 0.0 144.780 C3H6 +H =NC3H7 1.300E+013 0.0 13.653 C3H6 +H =IC3H7 1.300E+013 0.0 6.531 C3H8 +H =NC3H7 +H2 1.330E+006 2.5 28.286 C3H8 +OH =NC3H7 +H2O 3.160E+007 1.8 3.910 C3H8 +O =NC3H7 +OH 1.930E+005 2.7 15.558 C3H8 +CH3 =NC3H7 +CH4 9.040E-001 3.6 29.952 C3H8 +H =IC3H7 +H2 1.300E+006 2.4 18.719 C3H8 +OH =IC3H7 +H2O 7.080E+006 1.9 -0.666 C3H8 +O =IC3H7 +OH 4.770E+004 2.7 8.817 C3H8 +CH3 =IC3H7 +CH4 1.510E+000 3.5 22.948 NC3H7 +HCH =C2H4 +C2H5 1.810E+013 0.0 0.000 IC3H7 +C2H2 =C4H613 +CH3 2.770E+010 0.0 27.231 NC3H7 +C2H =H2CCCH +C2H5 1.210E+013 0.0 0.000 CH3 +C2H5 =C3H8 3.370E+013 0.0 0.000 NC3H7 +H2O2 =C3H8 +HO2 1.870E+004 2.1 10.764 NC3H7 +C2H3 =C2H2 +C3H8 1.210E+012 0.0 0.000 NC3H7 +HCO =C3H8 +CO 6.030E+013 0.0 0.000 NC3H7 +CH2OH =C3H8 +CH2O 9.640E+011 0.0 0.000 NC3H7 +CH3O =C3H8 +CH2O 2.410E+013 0.0 0.000 NC3H7 +CH3OH =C3H8 +CH2OH 3.370E+001 3.2 38.355 NC3H7 +CH3OH =C3H8 +CH3O 1.450E+001 3.1 37.438 NC3H7 +CH2O =C3H8 +HCO 3.010E+003 2.9 24.543 NC3H7 +C2H5 =C3H8 +C2H4 1.150E+012 0.0 0.000 NC3H7 +C2H6 =C3H8 +C2H5 2.530E-001 3.8 37.857 NC3H7 +NC3H7 =C3H8 +C3H6 1.690E+012 0.0 0.000 NC3H7 +C3H5 =C3H4 +C3H8 7.230E+011 0.0 -0.548 NC3H7 +C3H6 =C3H8 +C3H5 2.230E+000 3.5 27.788 NC3H7 +C3H8 =C3H8 +IC3H7 8.440E-004 4.0 19.787 IC3H7 +C2H5 =C2H4 +C3H8 1.840E+013 -0.3 0.000 IC3H7 +C2H6 =C3H8 +C2H5 8.440E-001 4.2 36.492 IC3H7 +CH3OH =C3H8 +CH2OH 3.190E+001 3.7 44.095 IC3H7 +CH3OH =C3H8 +CH3O 1.450E+001 3.1 43.262 IC3H7 +CH2O =C3H8 +HCO 1.080E+011 0.0 29.119 IC3H7 +H =C3H8 2.000E+013 0.0 0.000 IC3H7 +H2O2 =C3H8 +HO2 2.890E+002 2.8 16.948 IC3H7 +HCO =C3H8 +CO 1.210E+014 0.0 0.000 IC3H7 +CH2OH =C3H8 +CH2O 2.350E+012 0.0 0.000 IC3H7 +CH3O =C3H8 +CH2O 1.210E+013 0.0 0.000 IC3H7 +C2H3 =C3H8 +C2H2 1.520E+014 -0.7 0.000 IC3H7 +NC3H7 =C3H8 +C3H6 5.130E+013 -0.3 0.000 IC3H7 +IC3H7 =C3H8 +C3H6 2.110E+014 -0.7 0.000 IC3H7 +C3H5 =C3H8 +C3H4 4.580E+012 -0.3 -0.548 IC3H7 +C3H6 =C3H8 +C3H5 6.620E-002 4.0 33.787 HCCHCCH +H =H2CCCCH +H 1.000E+014 0.0 0.000 H2CCCCH +O =CH2CO +C2H 2.000E+013 0.0 0.000 H2CCCCH +O =H2C4O +H 2.000E+013 0.0 0.000 H2CCCCH +O2 =CH2CO +HCCO 1.000E+012 0.0 0.000 H2CCCCH +H2 =C2H2 +C2H3 5.010E+010 0.0 83.736 H2CCCCH +HCH =C3H4 +C2H 2.000E+013 0.0 0.000 ***** C2H2 +C2H =HCCHCCH 2.140E+035 -7.0 25.288 C2H2 +C2H =HCCHCCH 1.000E+013 0.0 0.000 H2CCCH +CH =H2CCCCH +H 7.000E+013 0.0 0.000 H2CCCH +CH =HCCHCCH +H 7.000E+013 0.0 0.000 C2H2 +C2H2 =HCCHCCH +H 1.000E+012 0.0 276.245 ***** C2H2 +C2H2 =C4H4 1.660E+045 -9.5 244.760 C2H2 +C2H2 =C4H4 5.500E+012 0.0 155.000 C2H3 +C2H3 =C4H4 +H +H 7.830E+012 0.0 0.000 C2H3 +C2H2 =C4H4 +H 4.880E+015 -0.8 55.182 C4H4 +C2H =H2CCCCH +C2H2 4.000E+013 0.0 0.000 C4H4 +C2H =HCCHCCH +C2H2 4.000E+013 0.0 0.000 H2CCCH +HCH =C4H4 +H 4.000E+013 0.0 0.000 C2H3 +C2H =C4H4 9.100E+045 -9.1 88.467 C2H4 +C2H =C4H4 +H 1.210E+013 0.0 0.000 C4H4 +H =HCCHCCH +H2 2.000E+007 2.0 62.802 C4H4 +OH =HCCHCCH +H2O 7.500E+006 2.0 20.934 C4H4 +C2H3 =C2H4 +HCCHCCH 5.000E+011 0.0 68.245 C4H4 +H =H2CCCCH +H2 3.000E+007 2.0 20.934 C4H4 +OH =H2CCCCH +H2O 1.000E+007 2.0 8.374 C4H4 +C2H3 =C2H4 +H2CCCCH 5.000E+011 0.0 68.245 **** C2H3 +C2H2 =C*CC*CJ 6.490E+042 -9.8 70.757 C2H3 +C2H2 =C*CC*CJ 3.160E+011 0.0 25.11 C*CC*CJ +H =C4H613 1.210E+014 0.0 0.000 C*CCJ*C +M(1) =C4H4 +H +M(1) 2.000E+015 0.0 175.846 C*CC*CJ +M(1) =C4H4 +H +M(1) 1.000E+014 0.0 125.604 C*CCJ*C +O2 =C4H4 +HO2 1.200E+011 0.0 0.000 C*CC*CJ +O2 =C4H4 +HO2 1.200E+011 0.0 0.000 C*CC*CJ +H =C*CCJ*C +H 1.000E+014 0.0 0.000 C*CC*CJ +OH =C4H4 +H2O 2.000E+007 2.0 4.187 C*CC*CJ +H =C4H4 +H2 3.000E+007 2.0 4.187 C2H3 +C2H3 =C*CCJ*C +H 4.000E+013 0.0 0.000 C*CCJ*C +OH =C4H4 +H2O 2.000E+007 2.0 4.187 C*CCJ*C +H =C4H4 +H2 3.000E+007 2.0 4.187 C2H3 +C2H4 =C4H613 +H 2.630E+015 -1.0 24.911 C2H3 +C2H4 =I-C4H7 1.320E+027 -5.6 16.747 I-C4H7 =C4H613 +H 3.160E+013 0.0 145.701 I-C4H7 +H =C4H613 +H2 1.810E+012 0.0 0.000 I-C4H7 +OH =C4H613 +H2O 2.410E+013 0.0 0.000 C2H3 +C2H3 =C4H613 2.000E+013 0.0 0.000 C3H6 +C2H3 =C4H613 +CH3 7.230E+011 0.0 20.976 C4H613 +H2CCCH =C*CC*CJ +C3H4 1.000E+013 0.0 94.203 C4H613 +O =C2H4 +CH2CO 1.000E+012 0.0 0.000 C4H613 +O =C3H4 +CH2O 1.000E+012 0.0 0.000 C4H613 +OH =C3H5 +CH2O 1.000E+012 0.0 0.000 C4H613 +OH =C2H5 +CH2CO 1.000E+012 0.0 0.000 H2CCCH +CH3 =C4H6-1 5.420E+013 0.0 0.000 C3H6 +C2H =C4H6-1 +CH 1.210E+013 0.0 0.000 C4H6-1 =C4H612 2.500E+013 0.0 272.142 C4H6-1 +O =C3H6 +CO 2.000E+013 0.0 6.946 H2CCCH +CH3 =C4H612 3.610E+013 0.0 0.000 C4H612 =C4H613 2.500E+013 0.0 263.768 C4H612 +H =C3H4 +CH3 6.000E+012 0.0 8.792 C4H612 +H =C3H4P +CH3 6.000E+012 0.0 8.792 I-C4H7 +H =C4H8 1.000E+014 0.0 0.000 C4H8 =C3H5 +CH3 1.100E+016 0.0 325.281 H2C4O +H =C2H2 +HCCO 5.000E+013 0.0 12.560 H2C4O +OH =CH2CO +HCCO 1.000E+007 2.0 8.374 C5H4 +H =C5H3 +H2 1.000E+006 2.5 20.934 C5H4 +OH =C5H3 +H2O 1.000E+006 2.0 0.000 C5H4 +O =C5H3 +OH 1.000E+006 2.5 12.560 C5H3 +H =C5H4 1.000E+014 0.0 0.000 C5H3 +O2 =C2H2 +HCCO +CO 1.000E+012 0.0 0.000 C5H3(L) +H =C5H2(L) +H2 6.030E+013 0.0 63.233 C5H5 +H =C5H4 +H2 3.230E+007 2.1 66.327 C5H5 +OH =C5H4 +H2O 2.110E+013 0.0 19.138 C5H5 +O =C5H4 +OH 2.000E+013 0.0 61.521 C5H5 +CH3 =C5H4 +CH4 2.000E+012 0.0 63.053 C5H4H +H =C5H4 +H2 2.800E+013 0.0 9.458 C5H4H +OH =C5H4 +H2O 3.080E+006 2.0 0.000 C5H4H +O =C5H4 +OH 4.770E+004 2.7 4.631 C5H4 =C5H4(L) 1.000E+013 0.0 25.121 C5H5(L) +H =C5H4(L) +H2 1.810E+012 0.0 0.000 C5H5(L) +OH =C5H4(L) +H2O 2.410E+013 0.0 0.000 C5H5(L) +CH3 =C5H4(L) +CH4 1.950E+013 -0.5 0.000 C5H5 +H =C5H6 9.960E+045 -9.4 59.453 ***** C5H5 =H2CCCH +C2H2 1.980E+068 -15.0 522.877 C5H5 =H2CCCH +C2H2 1.530E+031 -15.0 522.877 ***** C5H5 =C5H4H 5.920E+078 -19.5 404.818 C5H5 =C5H4H 3.350E+030 -19.5 404.818 ***** C5H4H =H2CCCH +C2H2 7.480E+065 -15.0 386.027 C5H4H =H2CCCH +C2H2 5.760E+028 -15.0 386.027 ***** C5H5 =C5H5(L) 2.520E+080 -19 415 C5H5 =C5H5(L) 1.290E+031 -19.0 415 C5H5 +O =C*CC*CJ +CO 1.740E+014 -0.4 3.308 C5H5 +O =C5H5O 7.060E+004 1.0 -29.140 C5H5 +CH3 =C5H5CH3 1.360E+040 -8.5 35.965 C5H5 +O =C5H4O +H 6.760E+013 -0.0 0.209 C5H5O =C5H4O +H 2.900E+032 -6.5 88.844 C5H5O =C*CC*CJ +CO 1.100E+079 -19.6 277.375 C5H5 +OH =C5H4OH +H 1.190E+019 -1.4 92.361 C5H4O +H =C5H4OH 2.060E+031 -5.0 65.147 C5H4OH +O2 =C5H4O +HO2 3.000E+013 0.0 20.934 C5H4O +H =C*CC*CJ +CO 2.100E+061 -13.3 170.863 C5H4O +O =C4H4 +CO2 1.000E+013 0.0 8.374 C5H4O =C2H2 +C2H2 +CO 6.200E+041 -7.9 413.237 C5H6 +H =C5H5 +H2 2.800E+013 0.0 9.458 C5H6 +H =C5H4H +H2 2.800E+013 0.0 147.120 ***** C5H6 +H =C3H5 +C2H2 6.600E+014 0.0 51.686 ***** Tsang W JPCRef Data 1991 C2H2 +C3H5 =C5H6 +H 3.970E+014 0.0 104.000 ***** C2H2 +C3H5 =C5H6 +H 3.980E+014 0.0 435.000 C5H6 +OH =C5H5 +H2O 3.080E+006 2.0 0.000 C5H6 +OH =C5H4H +H2O 3.080E+006 2.0 137.662 C5H6 +O =C5H5 +OH 4.770E+004 2.7 4.631 C5H6 +O =C5H4H +OH 4.770E+004 2.7 142.293 C5H6 +O2 =C5H5 +HO2 4.000E+013 0.0 155.540 C5H6 +HO2 =C5H5 +H2O2 1.100E+004 2.6 54.010 C5H6 +CH3 =C5H5 +CH4 1.800E-001 4.0 0.000 C5H6 +CH3 =C5H4H +CH4 1.800E-001 4.0 137.662 C5H6 +C2H3 =C5H5 +C2H4 1.200E-001 4.0 0.000 C5H6 +C6H5 =C5H5 +C6H6 1.000E-001 4.0 0.000 C5H6 +C10H7J1 =C5H5 +C10H8 1.000E-001 4.0 0.000 C5H6 +C10H7J2 =C5H5 +C10H8 1.000E-001 4.0 0.000 C5H6 +C*CC*CJ =C5H5 +C4H613 1.200E-001 4.0 0.000 C5H6 +C*CCJ*C =C5H5 +C4H613 6.000E+012 0.0 0.000 C5H6 +C3H5 =C5H5 +C3H6 2.000E-001 4.0 0.000 C3H5 +C5H5 =C5H6 +C3H4 1.000E+012 0.0 0.000 C6H4 +H =C6H3 +H2 1.500E+014 0.0 42.728 C6H3 +H =C6H4 4.270E+054 -11.8 112.248 C6H4 +OH =C6H3 +H2O 7.000E+013 0.0 12.608 C6H4 +C2H =C6H3 +C2H2 2.000E+013 0.0 0.000 HCCHCCH +C2H2 =BENZYNE +H 3.000E-011 6.5 27.800 HCCHCCH +C2H2 =C6H4 +H 2.770E-007 5.6 25.205 C6H4 +H =C6H5(L) 6.670E+056 -12.4 70.506 C6H5(L) +H =C6H4 +H2 2.000E+013 0.0 0.000 HCCHCCH +C2H2 =C6H5(L) 6.170E+015 -1.5 20.222 HCCHCCH +C2H2 =C6H5 7.000E+014 -0.9 26.670 H2CCCCH +C2H3 =C6H5 +H 6.000E+012 0.0 0.000 C6H5 +O2 =C6H5O +O 3.400E+030 -5.1 54.219 C6H5 +HO2 =C6H5O +OH 5.000E+013 0.0 4.187 C6H5(L) =C6H5 1.660E+011 0.0 68.454 C6H5 +O =C5H5 +CO 9.000E+013 0.0 0.000 C6H5 +CH2O =C6H6 +HCO 1.750E+010 0.0 0.000 C6H5 +H =C6H6 1.110E+016 -0.8 2.889 C6H5 +H =BENZYNE +H2 9.170E-022 10.3 25.853 C6H5 =BENZYNE +H 7.990E+041 -7.2 386.010 C6H5 =C6H4 +H 3.320E+073 -16.0 534.533 H2CCCH +H2CCCH =C6H6 3.000E+012 0.0 0.000 C4H4 +C2H3 =C6H6 +H 1.900E+012 0.0 10.509 C3H4 +H2CCCH =C6H6 +H 2.200E+011 0.0 8.374 C*CC*CJ +C2H2 =C6H6 +H 2.380E+008 1.2 15.659 C*CC*CJ +C2H3 =C6H6 +H2 1.840E-013 7.1 -15.114 C4H4 +C2H2 =C6H6 4.470E+011 0.0 125.646 C6H6 +H =C6H5 +H2 3.230E+007 2.1 66.327 C6H6 +O =C6H5 +OH 2.000E+013 0.0 61.563 C6H6 +O =C6H5O +H 2.400E+013 0.0 19.544 C6H6 +OH =C6H5 +H2O 2.110E+013 0.0 19.138 C6H6 +O2 =C6H5 +HO2 6.300E+013 0.0 251.208 C6H5 +CH4 =C6H6 +CH3 6.000E+012 0.0 51.581 C6H6F =C6H6 7.590E+013 0.0 309.208 C6H6F +H =C6H6 +H 3.000E+012 0.5 8.374 C6H6 +OH =C6H5OH +H 1.560E+024 -3.2 70.757 C*CC*CJ +C2H2 =C6H7 7.120E+021 -3.6 26.209 CH3 +C5H5 =C6H7 +H 2.440E+041 -8.0 164.370 C6H7 +H =C6H6 +H2 1.000E+013 0.0 0.000 C6H7 +C6H5 =C6H6 +C6H6 1.000E+012 0.0 0.000 C6H7 +H =C6H813 6.000E+013 0.0 0.000 C6H7 +H =C6H814 6.000E+013 0.0 0.000 C6H7 +C6H7 =C6H813 +C6H6 1.940E+015 -1.0 0.000 C6H7 +C6H7 =C6H814 +C6H6 1.670E+015 -1.0 0.000 C6H813 +O2 =C6H7 +HO2 8.130E+011 0.0 104.000 C6H814 +H =C6H7 +H2 2.800E+013 0.0 9.458 C6H813 =C6H6 +H2 4.700E+013 0.0 257.907 C6H814 =C6H6 +H2 1.050E+012 0.0 178.734 C2H3 +C*CC*CJ =C6H813 8.530E+013 -1.1 3.433 C4H613 +C2H2 =C6H814 2.300E+012 0.0 146.538 C6H5O +H =C6H5OH 3.470E+029 -4.3 42.831 C6H5O =C5H5 +CO 2.510E+011 0.0 183.801 C6H5 +OH =C6H5O +H 5.000E+013 0.0 0.000 C6H5O +O =C5H5 +CO2 1.000E+013 0.0 0.000 C6H5OH =C5H6 +CO 1.000E+012 0.0 254.566 C6H5OH +H =C6H5O +H2 1.150E+014 0.0 51.916 C6H5OH +O =C6H5O +OH 2.810E+013 0.0 30.781 C6H5OH +HO2 =C6H5O +H2O2 3.000E+013 0.0 62.802 C6H5OH +C2H3 =C2H4 +C6H5O 6.000E+012 0.0 0.000 C6H5OH +C*CC*CJ =C4H613 +C6H5O 6.000E+012 0.0 0.000 C6H5OH +C*CCJ*C =C4H613 +C6H5O 6.000E+012 0.0 0.000 C6H5OH +C6H5 =C6H6 +C6H5O 4.910E+012 0.0 18.422 C6H5O +C5H6 =C5H5 +C6H5OH 3.160E+011 0.0 33.494 C6H5OH +OH =H2O +C6H5O 1.390E+008 1.4 -4.028 C6H5OH +OH =H2O +C6H4OH 1.410E+013 0.0 19.138 C6H5OH +H =H2 +C6H4OH 1.670E+014 0.0 66.989 C5H5 +CO =C6H4OH 4.480E+010 -0.8 214.322 C6H5 +O2 =OC6H4O2 +H 3.000E+013 0.0 37.681 C6H5O +O =OC6H4O2 +H 8.500E+013 0.0 0.000 C6H5O +O =PC6H4O2 +H 8.500E+013 0.0 0.000 OC6H4O2 =C5H4O +CO 1.000E+012 0.0 167.472 PC6H4O2 =C5H4O +CO 3.700E+011 0.0 247.021 PC6H4O2 =C5H4 +CO2 3.500E+012 0.0 280.516 PC6H4O2 +H =C5H5O +CO 2.500E+013 0.0 19.678 PC6H4O2 +H =C6H3O2 +H2 2.000E+012 0.0 33.913 PC6H4O2 +O =C6H3O3 +H 1.500E+013 0.0 18.966 PC6H4O2 +O =C6H3O2 +OH 1.400E+013 0.0 61.546 PC6H4O2 +OH =C6H3O2 +H2O 1.000E+006 2.0 16.747 C6H3O2 +H =PC6H4O2 1.000E+014 0.0 0.000 C6H5 +CH3 =C7H7 +H 3.610E+017 -0.8 84.783 C4H4 +H2CCCH =C7H7 7.250E+018 -2.8 -58.029 C7H7 +C6H5OH =C7H8 +C6H5O 1.050E+011 0.0 39.775 C7H7 +HO2 =C6H5 +CH2O +OH 5.000E+012 0.0 0.000 C7H7 +H =C7H8 2.590E+014 0.0 0.000 C6H5 +CH3 =C7H8 2.820E+044 -9.4 59.913 C7H8 +O2 =C7H7 +HO2 3.000E+014 0.0 173.334 C7H8 +OH =C7H7 +H2O 1.260E+013 0.0 10.815 C7H8 +H =C7H7 +H2 1.200E+014 0.0 34.478 C7H8 +H =C6H6 +CH3 1.200E+013 0.0 21.554 C7H8 +CH3 =C7H7 +CH4 3.160E+011 0.0 39.775 C7H8 +C6H5 =C7H7 +C6H6 2.100E+012 0.0 18.422 C7H8 +C2H3 =C7H7 +C2H4 3.980E+012 0.0 33.494 C*CC*CJ +C3H4 =C7H8 +H 2.000E+011 0.0 15.491 C*CC*CJ +C3H4P =C7H8 +H 3.160E+011 0.0 15.491 C6H5O +CH3 =C7H8O 1.000E+012 0.0 0.000 C7H8O +H =C7H8 +OH 2.210E+013 0.0 33.118 C7H8O +H =C6H5OH +CH3 1.200E+013 0.0 21.554 C7H7 +O =C6H5CHO +H 1.580E+013 0.0 0.000 C6H5CHO =C6H5CO +H 3.980E+015 0.0 350.268 C6H5CHO +O =C6H5CO +OH 6.030E+012 0.0 7.578 C6H5CHO +OH =C6H5CO +H2O 7.830E+012 0.0 0.000 C6H5CO =C6H5 +CO 3.980E+014 0.0 123.134 C7H7 +OH =A1CH2OH 2.000E+013 0.0 0.000 C6H5O +CH3 =C6H5OCH3 1.210E+013 0.0 0.000 C6H5 +CH3O =C6H5OCH3 1.210E+013 0.0 0.000 C6H5 +C6H5O =LONG0009 1.210E+013 0.0 0.000 C6H6 +C2H =C8H6 +H 1.000E+012 0.0 0.000 C6H5 +C2H2 =C8H6 +H 1.800E+016 -0.6 72.997 C8H6 +H =A1C2HJ2 +H2 3.230E+007 2.1 66.327 C8H6 +OH =A1C2HJ2 +H2O 2.110E+013 0.0 19.138 C8H6 +CH3 =A1C2HJ2 +CH4 1.670E+012 0.0 63.041 A1C2HJ2 +H =C8H6 1.110E+016 -0.8 2.889 C6H5 +C2H =C8H6 2.540E+017 -1.5 6.452 C6H5 +C4H4 =C8H6 +C2H3 3.200E+011 0.0 5.652 ****** C6H5 +C2H2 =C6H5CHCH 6.700E+034 -7.0 46.000 C6H5 +C2H2 =C6H5CHCH 3.180E+011 2.05 15.560 C6H5CHCH+H =C8H6 +H2 9.570E+014 -0.3 3.014 C6H5CHCH=C8H6 +H 2.740E+022 -4.1 155.079 C8H6 +O =C6H5CH +CO 3.600E+012 0.0 2.650 C6H5CH +H =C7H7 1.000E+013 0.0 0.000 C7H7 +H =C6H5CH +H2 6.030E+013 0.0 63.233 C6H5CH +O =C6H6 +CO 1.000E+013 0.0 0.000 C6H5CH +OH =C6H6 +HCO 1.000E+013 0.0 0.000 C8H6 +OH =C6H5 +CH2CO 3.000E+003 3.0 46.373 C8H6 +OH =C6H6 +HCCO 2.440E+003 3.0 46.373 C6H5 +C2H3 =C8H8 1.500E+022 -2.6 26.293 C6H5CHCH+H =C8H8 1.540E+013 -1.0 -28.805 C6H5 +C4H4 =C8H8 +C2H 3.200E+011 0.0 7.955 C6H5 +C4H613 =C8H8 +C2H3 3.200E+011 0.0 7.955 C4H4 +C4H4 =C8H8 1.500E+014 0.0 159.098 C*CC*CJ +C4H4 =C8H8 +H 3.160E+011 0.0 2.512 C8H8 =C6H6 +C2H2 1.580E+011 0.0 244.677 C6H5 +C2H4 =C8H8 +H 2.510E+012 0.0 25.958 C8H8 +H =C6H5CHCH+H2 5.070E+007 1.9 54.223 C8H8 +OH =C6H5CHCH+H2O 2.020E+013 0.0 24.932 C6H6 +C2H3 =C8H8 +H 7.940E+011 0.0 26.796 C6H5 +C2H2 =C8H7J2 1.100E+041 -8.6 75.999 C8H7J2 +H =C8H8 1.110E+016 -0.8 2.889 C8H8 +H =C8H7J2 +H2 3.230E+007 2.1 66.327 C8H8 +OH =C8H7J2 +H2O 2.110E+013 0.0 19.138 C8H7J2 +O2 =C6H5O +CH2CO 1.880E+012 0.0 31.271 C8H8 +O =C6H5 +CH2CHO 3.500E+013 0.0 11.857 C8H8 +O =C6H5CHCH+OH 7.550E+006 1.9 15.642 C7H7 +CH3 =C8H10 1.190E+013 0.0 0.925 C8H10 +H =C6H6 +C2H5 1.200E+013 0.0 21.353 C8H10 +H =C6H5CCJ +H2 3.970E+002 3.4 13.063 C8H10 +OH =C6H5CCJ +H2O 5.170E+009 1.0 3.643 C8H10 +O2 =C6H5CCJ +HO2 1.810E+012 0.0 166.383 C8H10 =C6H5CCJ +H 2.510E+015 0.0 340.228 C6H5CCJ =C8H8 +H 3.160E+013 0.0 212.141 C6H5 +C6H5 =C12H10 2.000E+026 -3.9 26.461 C6H5 +C6H6 =C12H10 +H 2.220E+083 -20.8 196.319 C12H10 +H =C12H9 +H2 3.230E+007 2.1 66.327 C12H10 +OH =C12H9 +H2O 2.110E+013 0.0 19.138 C6H5 +H2CCCH =C6H5C3H2+H 3.000E+012 0.0 0.000 C6H5C3H2+H2CCCH =C12H9 +H 3.000E+012 0.0 0.000 C12H9 +H =C12H10 2.500E+020 -1.8 12.058 C8H7J2 +C2H2 =C10H8 +H 4.670E+006 1.8 13.657 C5H5 +C5H5 =C10H8 +H +H 2.000E+013 0.0 33.494 **** C5H5 +C5H5 =C10H8 +H +H 2.000E+012 0.0 33.494 **** C5H5 +C5H5 =C10H8 +H +H 3.080E+012 0.0 181.3 **** C5H5 +C5H5 =C10H8 +H +H 1.280E+015 0.0 228.170 C6H5 +HCCHCCH =C10H8 6.620E+035 -6.5 64.560 C7H7 +H2CCCH =C10H8 +H +H 3.000E+012 0.0 0.000 A1C2HJ2 +C2H2 =C10H7J1 4.670E+006 1.8 13.657 C6H5 +HCCHCCH =C10H7J2 +H 2.430E+031 -4.5 153.656 C10H8 +H =C10H7J1 +H2 3.230E+007 2.1 66.327 C10H8 +H =C10H7J2 +H2 3.230E+007 2.1 66.327 C10H8 +OH =C10H7J1 +H2O 2.110E+013 0.0 19.138 C10H8 +OH =C10H7J2 +H2O 2.110E+013 0.0 19.138 C10H8 +CH3 =C10H7J1 +CH4 2.000E+012 0.0 63.053 C10H8 +CH3 =C10H7J2 +CH4 2.000E+012 0.0 63.053 C10H7J1 +H =C10H8 1.110E+016 -0.8 2.889 C10H7J1 +H =A2T1 +H2 9.170E-022 10.3 25.853 C10H7J2 +H =C10H8 1.110E+016 -0.8 2.889 C10H7J2 +H =A2T2 +H2 9.170E-022 10.3 25.853 A2T1 +BENZYNE =A21C6H4 3.200E+023 -3.2 21.227 A2T2 +BENZYNE =A22C6H4 3.200E+023 -3.2 21.227 C10H7J1 +O2 =C10H7O-1+O 3.400E+030 -5.1 54.219 C10H7J1 +OH =C10H7O-1+H 5.000E+013 0.0 0.000 C10H7J2 +O2 =C10H7O-2+O 3.400E+030 -5.1 54.219 C10H7J2 +OH =C10H7O-2+H 5.000E+013 0.0 0.000 C10H7O-1+H =LONG0004 3.470E+029 -4.3 42.831 LONG0004+H =C10H7O-1+H2 1.150E+014 0.0 51.916 C10H8 +OH =LONG0004+H 1.560E+024 -3.2 70.757 LONG0004+OH =C10H7O-1+H2O 1.390E+008 1.4 -4.028 C10H7O-2+H =LONG0005 3.470E+029 -4.3 42.831 LONG0005+H =C10H7O-2+H2 1.150E+014 0.0 51.916 C10H8 +OH =LONG0005+H 1.560E+024 -3.2 70.757 LONG0005+OH =C10H7O-2+H2O 1.390E+008 1.4 -4.028 C10H7O-1=INDENEJ +CO 2.510E+011 0.0 183.801 C10H7O-2=INDENEJ +CO 2.510E+011 0.0 183.801 INDENE +H =INDENEJ +H2 1.480E+014 0.0 56.878 INDENE +OH =INDENEJ +H2O 1.570E+007 1.8 11.639 INDENE +O =INDENEJ +OH 6.920E+008 1.6 35.546 INDENEJ +H =INDENE 2.000E+014 0.0 0.000 C7H7 +C2H2 =INDENE +H 3.200E+011 0.0 29.308 INDENEJ +O =C6H5CHCH+CO 1.000E+014 0.0 0.000 C10H7J1 +CH3 =A2CH2-1 +H 6.300E+014 0.3 114.383 C10H7J2 +CH3 =A2CH2-2 +H 6.300E+014 0.3 114.383 C10H7J1 +CH3 =A2CH3-1 1.850E+032 -5.7 37.221 C10H7J2 +CH3 =A2CH3-2 1.850E+032 -5.7 37.221 A2CH2-1 +H =A2CH3-1 1.000E+014 0.0 0.000 A2CH2-2 +H =A2CH3-2 1.000E+014 0.0 0.000 A2CH3-1 +H =C10H8 +CH3 1.200E+013 0.0 21.554 A2CH3-2 +H =C10H8 +CH3 1.200E+013 0.0 21.554 C10H7J1 +C2H2 =A2C2H-1 +H 9.900E-006 5.6 45.000 C10H7J2 +C2H2 =A2C2H-2 +H 3.890E+017 -0.9 82.815 A2VINP +H =A2C2H-2 +H2 9.570E+014 -0.3 3.014 C10H7J2 +C2H4 =A2C2H3-2+H 2.510E+012 0.0 25.958 C10H8 +C2H3 =A2C2H3-2+H 7.940E+011 0.0 26.791 C10H7J2 +C2H2 =A2VINP 1.160E+035 -7.0 49.069 A2VINP =A2C2H-2 +H 2.740E+022 -4.1 155.079 A2VINP +H =A2C2H3-2 1.540E+013 -1.0 -28.805 BENZYNE +BENZYNE =BIPHEN 4.600E+012 0.0 0.000 BIPHENH =BIPHEN +H 1.300E+016 0.0 139.014 BIPHENH +H =BIPHEN +H2 6.020E+012 0.0 0.000 BIPHENH =A2R5 +H 1.000E+013 0.0 83.736 C10H7J1 +C2H2 =A2R5 +H 2.290E+017 -1.0 60.910 A2R5 +H =A2R5J1 +H2 3.230E+007 2.1 82.899 A2R5 +H =A2R5J3 +H2 3.230E+007 2.1 66.327 A2R5 +H =A2R5J4 +H2 3.230E+007 2.1 66.327 A2R5 +H =A2R5J5 +H2 3.230E+007 2.1 66.327 A2R5 +OH =A2R5J1 +H2O 2.100E+013 0.0 36.006 A2R5 +OH =A2R5J3 +H2O 2.100E+013 0.0 19.259 A2R5 +OH =A2R5J4 +H2O 2.100E+013 0.0 19.259 A2R5 +OH =A2R5J5 +H2O 2.100E+013 0.0 19.259 A2R5J1 +H =A2R5 1.260E+020 -1.8 12.142 A2R5J1 +H =A2R5T +H2 1.920E-014 8.7 77.874 A2R5J1 +OH =A2R5T +H2O 1.000E+013 0.0 0.000 A2R5J1 +O =A2R5T +OH 1.000E+013 0.0 0.000 A2R5J3 +H =A2R5 7.000E+019 -1.7 11.681 A2R5J4 +H =A2R5 7.000E+019 -1.7 11.681 A2R5J5 +H =A2R5 7.000E+019 -1.7 11.681 C10H7J1 +C2H4 =A2R5H2 +H 2.510E+012 0.0 25.958 C10H7J1 +C2H2 =HA2R5 4.600E+041 -9.0 65.000 HA2R5 +H =A2R5 +H2 1.810E+012 0.0 0.000 HA2R5 +OH =A2R5 +H2O 2.410E+013 0.0 0.000 HA2R5 +H =A2R5H2 1.000E+014 0.0 0.000 A2R5H2 +H =HA2R5 +H2 5.400E+002 3.5 21.813 A2R5H2 +OH =HA2R5 +H2O 8.700E+009 1.1 7.578 A2R5H2 =A2R5 +H2 4.700E+013 0.0 257.907 A2R5J1 +C2H2 =A2R5YNE1+H 1.510E+017 -0.7 84.699 A2R5J3 +C2H2 =A2R5YNE3+H 1.510E+017 -0.7 84.699 A2R5J4 +C2H2 =A2R5YNE4+H 1.510E+017 -0.7 84.699 A2R5J5 +C2H2 =A2R5YNE5+H 4.430E-006 5.7 46.348 A2R5J5 +C2H2 =A2R5R5 +H 4.110E+015 -0.4 60.374 C12H9 +C2H2 =A3 +H 1.870E+007 1.8 13.657 INDENEJ +C5H5 =A3 +H +H 5.000E+012 0.0 33.494 A2C2H-2 +H =LONG0007+H2 3.230E+007 2.1 66.327 A2C2H-2 +OH =LONG0007+H2O 2.110E+013 0.0 19.138 LONG0007+C2H2 =A3J1 4.670E+006 1.8 13.657 A2C2H-1 +H =LONG0006+H2 3.230E+007 2.1 66.327 A2C2H-1 +OH =LONG0006+H2O 2.110E+013 0.0 19.138 LONG0006+C2H2 =A3J4 4.670E+006 1.8 13.657 C8H6 +C6H5 =A3 +H 9.550E+011 0.0 18.037 A1C2HJ2 +C6H6 =A3 +H 9.550E+011 0.0 18.037 A3 +H =A3J1 +H2 3.230E+007 2.1 66.327 A3 +H =A3J2 +H2 3.230E+007 2.1 66.327 A3 +H =A3J4 +H2 3.230E+007 2.1 66.327 A3 +H =A3J9 +H2 3.230E+007 2.1 66.327 A3 +OH =A3J1 +H2O 2.110E+013 0.0 19.138 A3 +OH =A3J2 +H2O 2.110E+013 0.0 19.138 A3 +OH =A3J4 +H2O 2.110E+013 0.0 19.138 A3 +OH =A3J9 +H2O 2.110E+013 0.0 19.138 A3J1 +H =A3 2.020E+015 -0.3 1.382 A3J2 +H =A3 2.020E+015 -0.3 1.382 A3J4 +H =A3 2.020E+015 -0.3 1.382 A3J9 +H =A3 2.020E+015 -0.3 1.382 A2C2H-2 +H =LONG0008+H2 3.230E+007 2.1 66.327 A2C2H-2 +OH =LONG0008+H2O 2.110E+013 0.0 19.138 LONG0008+C2H2 =A3LJ1 4.670E+006 1.8 13.657 A3L +H =A3LJ1 +H2 3.230E+007 2.1 66.327 A3L +OH =A3LJ1 +H2O 2.110E+013 0.0 19.138 A3LJ1 +H =A3L 2.020E+015 -0.3 1.382 A3L +H =A3LJ2 +H2 3.230E+007 2.1 66.327 A3L +OH =A3LJ2 +H2O 2.110E+013 0.0 19.138 A3LJ2 +H =A3L 2.020E+015 -0.3 1.382 A3L +H =A3LJ9 +H2 3.230E+007 2.1 66.327 A3L +OH =A3LJ9 +H2O 2.110E+013 0.0 19.138 A3LJ9 +H =A3L 2.020E+015 -0.3 1.382 A3L =A3 7.940E+012 0.0 272.142 A3J1 +C2H2 =A3R5 +H 1.830E+013 0.3 62.551 A2T1 +BENZYNE =A3R5 2.640E+032 -4.9 177.730 A2T2 +BENZYNE =A3R5 2.640E+032 -4.9 177.730 A2R5YNE4+H =LONG0013+H2 3.230E+007 2.1 66.327 A2R5YNE4+OH =LONG0013+H2O 2.100E+013 0.0 19.259 LONG0013+C2H2 =A3R5J7 1.870E+007 1.8 13.657 A3R5J7 +H =A3R5 5.000E+013 0.0 0.000 A2R5YNE5+H =LONG0014+H2 3.230E+007 2.1 66.327 A2R5YNE5+OH =LONG0014+H2O 2.100E+013 0.0 19.259 LONG0014+C2H2 =A3R5J10 1.870E+007 1.8 13.657 A3R5J10 +H =A3R5 5.000E+013 0.0 0.000 A3LJ1 +C2H2 =A3LR5 +H 1.830E+013 0.3 62.551 A3LJ9 +C2H2 =A3LR5 +H 1.870E+007 1.8 13.657 A2T1 +BENZYNE =A3LR5 3.090E+036 -6.3 176.599 A2T2 +BENZYNE =A3LR5 3.090E+036 -6.3 176.599 A2R5YNE3+H =LONG0011+H2 3.230E+007 2.1 66.327 A2R5YNE3+OH =LONG0011+H2O 2.100E+013 0.0 19.259 A2R5YNE4+H =LONG0012+H2 3.230E+007 2.1 66.327 A2R5YNE4+OH =LONG0012+H2O 2.100E+013 0.0 19.259 LONG0011+C2H2 =A3LR5JS 1.870E+007 1.8 13.657 LONG0012+C2H2 =A3LR5JS 1.870E+007 1.8 13.657 A3LR5JS +H =A3LR5 5.000E+013 0.0 0.000 A3J2 +C2H2 =A3C2H-2 +H 2.080E+015 -0.1 87.337 A3C2H-2 +H =LONG0016+H2 3.230E+007 2.1 66.327 A3C2H-2 +OH =LONG0016+H2O 2.100E+013 0.0 19.259 LONG0016+C2H2 =LONG0026 1.870E+007 1.8 13.657 A3J1 +C2H2 =A3C2H-1 +H 4.630E-007 6.0 49.614 A3C2H-1 +H =LONG0015+H2 3.230E+007 2.1 66.327 A3C2H-1 +OH =LONG0015+H2O 2.100E+013 0.0 19.259 LONG0015+C2H2 =LONG0027 1.870E+007 1.8 13.657 C10H7J2 +C8H6 =CHRYSEN +H 8.510E+011 0.0 16.689 C10H8 +A1C2HJ2 =CHRYSEN +H 8.510E+011 0.0 16.689 LONG0006+C6H6 =CHRYSEN +H 8.510E+011 0.0 16.689 CHRYSEN +H =LONG0026+H2 3.230E+007 2.1 66.327 CHRYSEN +H =LONG0027+H2 3.230E+007 2.1 66.327 CHRYSEN +H =LONG0028+H2 3.230E+007 2.1 66.327 CHRYSEN +OH =LONG0026+H2O 2.100E+013 0.0 19.259 CHRYSEN +OH =LONG0027+H2O 2.100E+013 0.0 19.259 CHRYSEN +OH =LONG0028+H2O 2.100E+013 0.0 19.259 LONG0026+H =CHRYSEN 5.000E+013 0.0 0.000 LONG0027+H =CHRYSEN 5.000E+013 0.0 0.000 LONG0028+H =CHRYSEN 5.000E+013 0.0 0.000 LONG0027+C2H2 =BAPYR +H 1.870E+007 1.8 13.657 LONG0028+C2H2 =BAPYR +H 1.870E+007 1.8 13.657 A3LJ1 +C2H2 =A3LC2H-1+H 4.630E-007 6.0 49.614 A3LC2H-1+H =LONG0017+H2 3.230E+007 2.1 66.327 A3LC2H-1+OH =LONG0017+H2O 2.100E+013 0.0 19.259 LONG0017+C2H2 =A4J1 1.870E+007 1.8 13.657 A3LJ2 +C2H2 =A3LC2H-2+H 2.080E+015 -0.1 87.337 A3LC2H-2+H =LONG0018+H2 3.230E+007 2.1 66.327 A3LC2H-2+OH =LONG0018+H2O 2.100E+013 0.0 19.259 LONG0018+C2H2 =A4J4 1.870E+007 1.8 13.657 C10H7J2 +C8H6 =A4 +H 8.510E+011 0.0 16.689 C10H8 +A1C2HJ2 =A4 +H 8.510E+011 0.0 16.689 A4 +H =A4J1 +H2 3.230E+007 2.1 66.327 A4 +H =A4J12 +H2 3.230E+007 2.1 66.327 A4 +H =A4J4 +H2 3.230E+007 2.1 66.327 A4 +OH =A4J1 +H2O 2.100E+013 0.0 19.259 A4 +OH =A4J12 +H2O 2.100E+013 0.0 19.259 A4 +OH =A4J4 +H2O 2.100E+013 0.0 19.259 A4J1 +H =A4 5.000E+013 0.0 0.000 A4J4 +H =A4 5.000E+013 0.0 0.000 A4J12 +H =A4 5.000E+013 0.0 0.000 A3LC2H-2+H =LONG0019+H2 3.230E+007 2.1 66.327 A3LC2H-2+OH =LONG0019+H2O 2.100E+013 0.0 19.259 LONG0019+C2H2 =A4LJS 1.870E+007 1.8 13.657 A4LJS +H =A4L 5.000E+013 0.0 0.000 A3J1 +C6H5 =BBFLUOR +H +H 5.000E+012 0.0 0.000 A3J1 +C6H6 =BBFLUOR +H2 +H 4.000E+011 0.0 16.747 A3J9 +C6H5 =BBFLUOR +H +H 5.000E+012 0.0 0.000 A3J9 +C6H6 =BBFLUOR +H2 +H 4.000E+011 0.0 16.747 C10H7J2 +C10H7J1 =BKFLUOR +H +H 5.000E+012 0.0 0.000 C10H8 +C10H7J2 =BKFLUOR +H2 +H 4.000E+011 0.0 16.747 C10H8 +C10H7J1 =BKFLUOR +H2 +H 4.000E+011 0.0 16.747 PYRENEJ1+C6H5 =INPYR +H +H 5.000E+012 0.0 0.000 PYRENEJ1+C6H6 =INPYR +H2 +H 4.000E+011 0.0 16.747 BBFLUOR +H =LONG0031+H2 3.230E+007 2.1 66.327 BBFLUOR +OH =LONG0031+H2O 2.100E+013 0.0 19.259 LONG0031+C2H2 =INPYR +H 1.870E+007 1.8 13.657 A3J4 +CH3 =A3CH2 +H 5.000E+013 0.0 0.000 A3CH2 +H =A3CH3 1.000E+014 0.0 0.000 A3CH3 +H =A3CH2 +H2 3.980E+002 3.4 13.063 A3CH3 +H =A3 +CH3 5.780E+013 0.0 33.871 A3CH3 +OH =A3CH2 +H2O 1.260E+013 0.0 10.815 A3CH2 =A3CH2R +H 1.000E+013 0.0 50.242 C10H8 +C7H7 =BENZNAP +H 1.200E+012 0.0 66.738 C10H7J2 +C7H7 =BENZNAP 1.190E+013 0.0 0.921 BENZNAP +H =LONG0020+H2 3.230E+007 2.1 66.327 BENZNAP +OH =LONG0020+H2O 2.100E+013 0.0 19.259 LONG0020=C17H12 +H 1.000E+013 0.0 50.242 C6H6 +C7H7 =BENZYLB +H 1.200E+012 0.0 66.738 C6H5 +C7H7 =BENZYLB 1.190E+013 0.0 0.921 BENZYLB +H =BENZYLBJ+H2 3.230E+007 2.1 66.327 BENZYLB +OH =BENZYLBJ+H2O 2.100E+013 0.0 19.259 BENZYLBJ=FLUORENE+H 4.000E+011 0.0 50.242 C10H7J2 +C6H5 =A2C6H5-2 1.190E+017 -1.2 8.332 C10H7J2 +C6H6 =A2C6H5-2+H 2.220E+083 -20.8 196.319 C10H8 +C6H5 =A2C6H5-2+H 2.220E+083 -20.8 196.319 C10H7J1 +C6H5 =FLTHN +H +H 1.390E+013 0.0 0.465 C10H7J1 +C6H6 =FLTHN +H +H2 8.510E+011 0.0 16.689 C10H8 +C6H5 =FLTHN +H +H2 8.510E+011 0.0 16.689 A2T1 +BENZYNE =FLTHN 1.340E+023 -2.8 94.077 A2T2 +BENZYNE =FLTHN 1.340E+023 -2.8 94.077 A2R5YNE1+H =LONG0010+H2 3.230E+007 2.1 66.327 A2R5YNE1+OH =LONG0010+H2O 2.100E+013 0.0 19.259 LONG0010+C2H2 =FLTHNJ7 1.870E+007 1.8 13.657 FLTHN +H =FLTHNJ1 +H2 3.230E+007 2.1 66.327 FLTHN +OH =FLTHNJ1 +H2O 2.100E+013 0.0 19.259 FLTHN +H =FLTHNJ3 +H2 3.230E+007 2.1 66.327 FLTHN +OH =FLTHNJ3 +H2O 2.100E+013 0.0 19.259 FLTHNJ7 +H =FLTHN 5.000E+013 0.0 0.000 FLTHNJ1 +H =FLTHN 5.000E+013 0.0 0.000 FLTHNJ3 +H =FLTHN 5.000E+013 0.0 0.000 A21C6H4 =FLTHN 8.510E+012 0.0 263.182 A22C6H4 =A3LR5 8.510E+012 0.0 263.182 A3R5 =FLTHN 8.510E+012 0.0 263.182 A3LR5 =A3R5 8.510E+012 0.0 263.182 A3LR5 =FLTHN 8.510E+012 0.0 263.182 FLTHNJ3 +C2H2 =CPCDFLTH+H 1.430E+013 0.4 66.110 CPCDFLTH+H =LONG0025+H2 3.230E+007 2.1 66.327 CPCDFLTH+OH =LONG0025+H2O 2.100E+013 0.0 19.259 LONG0025+C2H2 =BGHIFR +H 1.870E+007 1.8 13.657 BGHIF- +C2H2 =BGHIFR +H 1.430E+013 0.4 66.110 BGHIFR +H =BGHIFRJS+H2 3.230E+007 2.1 66.327 BGHIFR +OH =BGHIFRJS+H2O 2.100E+013 0.0 19.259 BGHIFRJS+C2H2 =COR1 +H 1.870E+007 1.8 13.657 A3J4 +C2H2 =PYRENE +H 1.870E+007 1.8 13.657 A1C2HJ2 +C8H6 =PYRENE +H 8.510E+011 0.0 16.689 PYRENE +H =PYRENEJ1+H2 3.230E+007 2.1 66.327 PYRENE +OH =PYRENEJ1+H2O 2.100E+013 0.0 19.259 PYRENE +H =PYRENEJ2+H2 3.230E+007 2.1 66.327 PYRENE +OH =PYRENEJ2+H2O 2.100E+013 0.0 19.259 PYRENE +H =PYRENEJ4+H2 3.230E+007 2.1 66.327 PYRENE +OH =PYRENEJ4+H2O 2.100E+013 0.0 19.259 PYRENEJ1+H =PYRENE 5.000E+013 0.0 0.000 PYRENEJ2+H =PYRENE 5.000E+013 0.0 0.000 PYRENEJ4+H =PYRENE 5.000E+013 0.0 0.000 PYRENE +OH =A3J4 +CH2CO 1.300E+013 0.0 44.380 PYRENE +O =A3J4 +HCCO 2.200E+013 0.0 18.966 PYRENEJ4+O2 =A3J4 +CO +CO 2.100E+012 0.0 31.275 PYRENEJ1+C2H2 =PYC2H-1 +H 7.920E-006 5.7 55.810 PYRENEJ2+C2H2 =PYC2H-2 +H 1.250E+017 -0.6 94.454 PYRENEJ4+C2H2 =PYC2H-4 +H 7.920E-006 5.7 55.810 FLTHNJ1 +C2H2 =BGHIF +H 1.870E+007 1.8 13.657 FLTHNJ7 +C2H2 =BGHIF +H 1.870E+007 1.8 13.657 BGHIF +H =BGHIF- +H2 3.230E+007 2.1 66.327 BGHIF +OH =BGHIF- +H2O 2.100E+013 0.0 19.259 PYRENEJ1+C2H2 =CPCDPYR +H 1.430E+013 0.4 66.110 PYRENEJ4+C2H2 =CPCDPYR +H 1.430E+013 0.4 66.110 CPCDPYR +H =LONG0021+H2 3.230E+007 2.1 66.327 CPCDPYR +OH =LONG0021+H2O 2.100E+013 0.0 19.259 LONG0021+C2H2 =DCPCDFG +H 1.430E+013 0.4 66.110 BGHIF- +C2H2 =COR +H 1.870E+007 1.8 13.657 LONG0021+C2H2 =COR +H 1.430E+013 0.4 66.110 COR +H =COR- +H2 3.230E+007 2.1 66.327 COR +OH =COR- +H2O 2.100E+013 0.0 19.259 COR- +C2H2 =COR1 +H 1.430E+013 0.4 66.110 COR1 +H =COR1- +H2 3.230E+007 2.1 66.327 COR1 +OH =COR1- +H2O 2.100E+013 0.0 19.259 COR1- +C2H2 =COR2 +H 1.870E+007 1.8 13.657 COR2 +H =COR2- +H2 3.230E+007 2.1 66.327 COR2 +OH =COR2- +H2O 2.100E+013 0.0 19.259 COR2- +C2H2 =COR3 +H 1.870E+007 1.8 13.657 COR3 +H =COR3- +H2 3.230E+007 2.1 66.327 COR3 +OH =COR3- +H2O 2.100E+013 0.0 19.259 COR3- +C2H2 =COR4 +H 1.870E+007 1.8 13.657 COR4 +H =COR4- +H2 3.230E+007 2.1 66.327 COR4 +OH =COR4- +H2O 2.100E+013 0.0 19.259 COR4- +C2H2 =HB +H 1.870E+007 1.8 13.657 A4J1 +C2H2 =BAPYR +H 1.870E+007 1.8 13.657 A4J12 +C2H2 =BAPYR +H 1.870E+007 1.8 13.657 PYC2H-1 +H =LONG0022+H2 3.230E+007 2.1 66.327 PYC2H-1 +OH =LONG0022+H2O 2.100E+013 0.0 19.259 PYC2H-2 +H =LONG0023+H2 3.230E+007 2.1 66.327 PYC2H-2 +OH =LONG0023+H2O 2.100E+013 0.0 19.259 LONG0022+C2H2 =BAPYRJS 1.870E+007 1.8 13.657 LONG0023+C2H2 =BAPYRJS 1.870E+007 1.8 13.657 BAPYRJS +H =BAPYR 5.000E+013 0.0 0.000 LONG0006+C8H6 =BAPYR +H 8.510E+011 0.0 16.689 A2C2H-1 +A1C2HJ2 =BAPYR +H 8.510E+011 0.0 16.689 BAPYR +OH =PYC2H-2 +CH2CO +H 6.500E+012 0.0 44.380 BAPYR +O =PYC2H-2 +CH2CO 1.100E+013 0.0 18.966 BAPYRJS +O2 =PYC2H-2 +HCO +CO 2.100E+012 0.0 31.275 PYC2H-2 +OH =PYRENEJ2+CH2CO 2.180E-004 4.5 -4.187 PYC2H-2 +O =PYRENEJ2+HCCO 2.040E+007 2.0 7.955 PYC2H-4 +H =LONG0024+H2 3.230E+007 2.1 66.327 PYC2H-4 +OH =LONG0024+H2O 2.100E+013 0.0 19.259 LONG0024+C2H2 =LONG0029 1.870E+007 1.8 13.657 LONG0029+H =BEPYREN 5.000E+013 0.0 0.000 BEPYREN +H =LONG0029+H2 3.230E+007 2.1 66.327 BEPYREN +OH =LONG0029+H2O 2.100E+013 0.0 19.259 LONG0029+C2H2 =BGHIPER +H 1.870E+007 1.8 13.657 C10H7J1 +C10H7J1 =PERYLEN +H +H 1.390E+013 0.0 0.465 C10H7J1 +C10H8 =PERYLEN +H2 +H 8.510E+011 0.0 16.689 PERYLEN +H =LONG0030+H2 3.230E+007 2.1 66.327 PERYLEN +OH =LONG0030+H2O 2.100E+013 0.0 19.259 LONG0030+C2H2 =BGHIPER +H 1.870E+007 1.8 13.657 BGHIPER +H =LONG0032+H2 3.230E+007 2.1 66.327 BGHIPER +OH =LONG0032+H2O 2.100E+013 0.0 19.259 LONG0032+C2H2 =CPBPER +H 1.430E+013 0.4 66.110 BAPYR +H =BAPYRJS +H2 3.230E+007 2.1 66.327 BAPYR +OH =BAPYRJS +H2O 2.100E+013 0.0 19.259 BAPYRJS +C2H2 =ANTHAN +H 1.870E+007 1.8 13.657 ANTHAN +H =ANTHANJS+H2 3.230E+007 2.1 66.327 ANTHAN +OH =ANTHANJS+H2O 2.100E+013 0.0 19.259 ANTHAN +OH =BAPYRJS +CH2CO 1.300E+013 0.0 44.380 ANTHAN +O =BAPYRJS +HCCO 2.200E+013 0.0 18.966 ANTHANJS+O2 =BAPYRJS +CO +CO 2.100E+012 0.0 31.275 LONG0032+C2H2 =CORONEN +H 1.870E+007 1.8 13.657 ********************************************* ****** From paper ****** Sheng and Dean, 2004 ********************************************* CH3OOH =CH3O +OH 6.060E+054-12.720 233.046 CH3OOH =CH3OOJ +H 1.600E+032 -6.820 374.396 CH3OOH =CH3 +HO2 6.160E+035 -7.550 302.266 CH3OOH =CJH2OOH +H 2.440E+032 -6.650 431.969 CH3OOH =CH2O +H2O 4.680E+046-11.100 237.337 CCOOH =CH3CH2O +OH 1.700E+066-15.870 264.627 CCOOH =CCOOJ +H 9.000E+039 -9.090 380.852 CCOOH =C2H5 +HO2 5.600E+044-10.060 322.576 CCOOH =CH3 +CJH2OOH 5.410E+040 -8.810 402.498 CCOOH =CCJOOH +H 3.110E+039 -8.650 424.851 CCOOH =CJCOOH +H 2.040E+038 -8.380 451.220 CCOOH =CH3CHO +H2O 2.700E+061-15.110 263.969 C*COH +OH =CH2CHO +H2O 1.200E+006 2.000 -5.162 C*COH +O =CH2CHO +OH 1.060E+008 1.500 11.179 C*COH +H =CH2CHO +H2 1.420E+008 1.500 8.424 C*COH +CH3 =CH2CHO +CH4 1.190E+005 1.870 25.933 C2COOH =C2COJ +OH 3.830E+071-17.390 270.488 C2COOH =C2COOJ +H 4.680E+040 -9.320 374.329 C2COOH =IC3H7 +HO2 1.640E+049-11.360 322.518 C2COOH =CCJOOH +CH3 3.700E+042 -9.170 372.721 C2COOH =C2JCOOH +H 1.030E+038 -8.210 445.237 C2COOH =C2CJOOH +H 7.440E+039 -8.670 409.389 C2COOH =C2H5CHO +H2O 3.430E+065-16.270 264.564 CCCOOH =CCCOJ +OH 3.520E+069-16.750 273.457 CCCOOH =CCCOOJ +H 7.130E+043-10.160 380.856 CCCOOH =NC3H7 +HO2 5.710E+053-12.340 331.720 CCCOOH =C2H5 +CJH2OOH 1.020E+045 -9.870 392.165 CCCOOH =CH3 +CJCOOH 2.600E+044 -9.800 393.446 CCCOOH =CCCJOOH +H 1.040E+043 -9.630 426.413 CCCOOH =CCJCOOH +H 8.180E+041 -9.410 441.712 CCCOOH =CJCCOOH +H 1.220E+042 -9.430 444.496 CCCOOH =C2H5CHO +H2O 4.950E+064-15.970 272.649 C2C*C +H =C2JC*C +H2 8.840E+008 1.500 16.450 C2C*C +O =C2JC*C +OH 6.570E+008 1.500 19.753 C2C*C +O =C2C*CJ +OH 3.330E+008 1.500 39.092 C2C*C +H =C2C*CJ +H2 4.800E+008 1.500 47.947 C2C*C +OH =C2C*CJ +H2O 2.410E+006 2.000 12.075 C2C*C +OH =C2JC*C +H2O 7.220E+006 2.000 -1.026 C2C*C +C3CJ =C2C*CJ +C3C 5.900E+001 3.120 77.129 C2C*C +C2CCJ =C2C*CJ +C3C 1.430E+004 2.500 69.174 C2C*C +C2CCJ =C2JC*C +C3C 1.370E+004 2.500 41.458 C2C*C +CCCJC =C2C*CJ +C4H10 2.380E+002 2.920 69.593 C2C*C +CCCJC =C2JC*C +C4H10 2.280E+002 2.920 41.876 C2C*C +CCCCJ =C2C*CJ +C4H10 1.830E+004 2.460 67.709 C2C*C +CCCCJ =C2JC*C +C4H10 1.760E+004 2.460 39.992 C2C*C +IC3H7 =C2C*CJ +C3H8 2.750E+002 2.900 68.965 C2C*C +IC3H7 =C2JC*C +C3H8 2.640E+002 2.900 41.248 C2C*C +NC3H7 =C2C*CJ +C3H8 1.310E+004 2.510 65.950 C2C*C +NC3H7 =C2JC*C +C3H8 1.260E+004 2.510 38.234 C2C*C +O2 =C2JC*C +HO2 1.800E+014 0.000 187.987 C2C*C +O2 =C2C*CJ +HO2 6.000E+013 0.000 263.350 C2C*C +CH3OOJ =C2JC*C +CH3OOH 9.510E+003 2.690 62.053 C2C*C +CH3OOJ =C2C*CJ +CH3OOH 2.900E+004 2.690 106.374 C2C*C +CCOOJ =C2JC*C +CCOOH 9.510E+003 2.690 62.053 C2C*C +CCOOJ =C2C*CJ +CCOOH 2.900E+004 2.690 106.374 C2C*C +CCCOOJ =C2JC*C +CCCOOH 9.510E+003 2.690 62.053 C2C*C +CCCOOJ =C2C*CJ +CCCOOH 2.900E+004 2.690 106.374 C2C*C +C2COOJ =C2JC*C +C2COOH 9.510E+003 2.690 62.053 C2C*C +C2COOJ =C2C*CJ +C2COOH 2.900E+004 2.690 106.374 C2C*C =CH3 +C*CJC 1.830E+092-21.780 587.379 C2C*C =C2JC*C +H 1.050E+076-17.380 526.411 C2C*C =C2C*CJ +H 1.440E+081-19.330 605.076 C2C*C +HO2 =C2C*CJ +H2O2 2.900E+004 2.690 102.187 C2C*C +HO2 =C2JC*C +H2O2 9.510E+003 2.690 57.866 C2C*C +CH3 =C2JC*C +CH4 1.580E+006 1.870 33.704 C2C*C +CH3 =C2C*CJ +CH4 1.630E+006 1.870 61.420 C2C*C +C2H5 =C2JC*C +C2H6 1.270E+004 2.510 37.899 C2C*C +C2H5 =C2C*CJ +C2H6 1.320E+004 2.510 65.616 C2C*C +C2H3 =C2JC*C +C2H4 6.160E+003 2.770 12.150 C2C*C +C2H3 =C2C*CJ +C2H4 6.420E+003 2.770 39.867 C2C*C +C2H =C2JC*C +C2H2 7.200E+006 2.000 -4.991 C2C*C +C2H =C2C*CJ +C2H2 2.400E+006 2.000 -1.842 C2C*C +C3CJ =C2JC*C +C3C 5.660E+001 3.120 49.413 CC*CC +C2COOJ =CCJ*CC +C2COOH 2.900E+004 2.690 101.308 CC*CC +O =I-C4H7 +OH 6.570E+008 1.500 19.933 CC*CC +O =CCJ*CC +OH 3.330E+008 1.500 35.868 CC*CC +H =I-C4H7 +H2 8.840E+008 1.500 17.028 CC*CC +H =CCJ*CC +H2 4.800E+008 1.500 44.263 CC*CC +HO2 =I-C4H7 +H2O2 9.510E+003 2.690 58.699 CC*CC +OH =CCJ*CC +H2O 2.410E+006 2.000 10.233 CC*CC +OH =I-C4H7 +H2O 7.220E+006 2.000 -0.846 CC*CC +C2H =CCJ*CC +C2H2 2.400E+006 2.000 -3.684 CC*CC +C2H =I-C4H7 +C2H2 7.200E+006 2.000 -4.991 CC*CC +C2H3 =CCJ*CC +C2H4 6.420E+003 2.770 36.182 CC*CC +C2H3 =I-C4H7 +C2H4 6.160E+003 2.770 12.577 CC*CC +C2H5 =CCJ*CC +C2H6 1.320E+004 2.510 61.931 CC*CC +C2H5 =I-C4H7 +C2H6 1.270E+004 2.510 38.326 CC*CC +CH3 =CCJ*CC +CH4 1.630E+006 1.870 57.736 CC*CC +CH3 =I-C4H7 +CH4 1.580E+006 1.870 34.131 CC*CC +HO2 =CCJ*CC +H2O2 2.900E+004 2.690 97.121 CC*CC +NC3H7 =CCJ*CC +C3H8 1.310E+004 2.510 62.266 CC*CC +NC3H7 =I-C4H7 +C3H8 1.260E+004 2.510 38.661 CC*CC +IC3H7 =I-C4H7 +C3H8 2.640E+002 2.900 41.675 CC*CC +IC3H7 =CCJ*CC +C3H8 2.750E+002 2.900 65.281 CC*CC +CCCCJ =I-C4H7 +C4H10 1.760E+004 2.460 40.419 CC*CC +CCCCJ =CCJ*CC +C4H10 1.830E+004 2.460 64.025 CC*CC +CCCJC =I-C4H7 +C4H10 2.280E+002 2.920 42.303 CC*CC +CCCJC =CCJ*CC +C4H10 2.380E+002 2.920 65.909 CC*CC +C2CCJ =I-C4H7 +C3C 1.370E+004 2.500 41.885 CC*CC +C2CCJ =CCJ*CC +C3C 1.430E+004 2.500 65.490 CC*CC +C3CJ =I-C4H7 +C3C 5.660E+001 3.120 49.840 CC*CC +C3CJ =CCJ*CC +C3C 5.900E+001 3.120 73.445 CC*CC +C2COOJ =I-C4H7 +C2COOH 9.510E+003 2.690 62.886 CC*CC +CCCOOJ =CCJ*CC +CCCOOH 2.900E+004 2.690 101.308 CC*CC +CCOOJ =CCJ*CC +CCOOH 2.900E+004 2.690 101.308 CC*CC +CCCOOJ =I-C4H7 +CCCOOH 9.510E+003 2.690 62.886 CC*CC +CCOOJ =I-C4H7 +CCOOH 9.510E+003 2.690 62.886 CC*CC +CH3OOJ =I-C4H7 +CH3OOH 9.510E+003 2.690 62.886 CC*CC +O2 =CCJ*CC +HO2 6.000E+013 0.000 254.139 CC*CC +O2 =I-C4H7 +HO2 1.800E+014 0.000 190.123 CC*CC +CH3OOJ =CCJ*CC +CH3OOH 2.900E+004 2.690 101.308 CC*CC =CH3 +CJ*CC 3.460E+090-21.200 597.486 CC*CC =I-C4H7 +H 5.940E+070-16.000 516.827 CC*CC =CCJ*CC +H 3.330E+084-20.220 614.120 CC@CC +H =CC@CCJ +H2 8.840E+008 1.500 17.806 CC@CC +O =CC@CCJ +OH 6.570E+008 1.500 20.176 CC@CC =CC@CCJ +H 7.880E+055-12.320 438.592 CC@CC +OH =CC@CCJ +H2O 7.220E+006 2.000 -0.595 CC@CC +CH3 =CC@CCJ +CH4 1.580E+006 1.870 34.709 CC@CC +HO2 =CC@CCJ +H2O2 9.510E+003 2.690 59.825 CC@CC +C2H5 =CC@CCJ +C2H6 1.270E+004 2.510 38.904 CC@CC +C2H3 =CC@CCJ +C2H4 6.160E+003 2.770 13.155 CC@CC +C2H =CC@CCJ +C2H2 7.200E+006 2.000 -4.991 CC@CC +C3CJ =CC@CCJ +C3C 5.660E+001 3.120 50.417 CC@CC +C2CCJ =CC@CCJ +C3C 1.370E+004 2.500 42.463 CC@CC +CCCJC =CC@CCJ +C4H10 2.280E+002 2.920 42.881 CC@CC +CCCCJ =CC@CCJ +C4H10 1.760E+004 2.460 40.997 CC@CC +IC3H7 =CC@CCJ +C3H8 2.640E+002 2.900 42.253 CC@CC +NC3H7 =CC@CCJ +C3H8 1.260E+004 2.510 39.239 CC@CC +O2 =CC@CCJ +HO2 1.800E+014 0.000 193.011 CC@CC +CH3OOJ =CC@CCJ +CH3OOH 9.510E+003 2.690 64.012 CC@CC +CCOOJ =CC@CCJ +CCOOH 9.510E+003 2.690 64.012 CC@CC +CCCOOJ =CC@CCJ +CCCOOH 9.510E+003 2.690 64.012 CC@CC +C2COOJ =CC@CCJ +C2COOH 9.510E+003 2.690 64.012 C3C +C2COOJ =C2CCJ +C2COOH 1.310E+005 2.690 83.116 C3C +C2COOJ =C3CJ +C2COOH 1.450E+004 2.690 71.561 C3C +CCOOJ =C2CCJ +CCOOH 1.310E+005 2.690 83.116 C3C +CH3OOJ =C2CCJ +CH3OOH 1.310E+005 2.690 83.116 C3C +O2 =C3CJ +HO2 3.000E+013 0.000 201.804 C3C +O2 =C2CCJ +HO2 2.700E+014 0.000 221.063 C3C +CH3OOJ =C3CJ +CH3OOH 1.450E+004 2.690 71.561 C3C +CCOOJ =C3CJ +CCOOH 1.450E+004 2.690 71.561 C3C +CCCOOJ =C3CJ +CCCOOH 1.450E+004 2.690 71.561 C3C +CCCOOJ =C2CCJ +CCCOOH 1.310E+005 2.690 83.116 C3C +C2CCJ =C3CJ +C3C 7.150E+003 2.500 39.741 C3C +CCCCJ =C3CJ +C4H10 9.150E+003 2.460 38.276 C3C +CCCCJ =C2CCJ +C4H10 8.240E+004 2.460 50.794 C3C +CCCJC =C2CCJ +C4H10 1.070E+003 2.920 52.678 C3C +CCCJC =C3CJ +C4H10 1.190E+002 2.920 40.160 C3C +CH3 =C2CCJ +CH4 7.340E+006 1.870 44.506 C3C +OH =C2CCJ +H2O 1.080E+007 2.000 3.617 C3C +HO2 =C2CCJ +H2O2 1.310E+005 2.690 78.930 C3C +HO2 =C3CJ +H2O2 1.450E+004 2.690 67.374 C3C +CH3 =C3CJ +CH4 8.150E+005 1.870 31.987 C3C +C2H3 =C3CJ +C2H4 3.210E+003 2.770 10.434 C3C +C2H5 =C2CCJ +C2H6 5.940E+004 2.510 48.701 C3C +C2H3 =C2CCJ +C2H4 2.890E+004 2.770 22.952 C3C +C2H =C3CJ +C2H2 1.200E+006 2.000 -4.991 C3C +C2H =C2CCJ +C2H2 1.080E+007 2.000 -4.991 C3C +NC3H7 =C2CCJ +C3H8 5.900E+004 2.510 49.036 C3C +IC3H7 =C3CJ +C3H8 1.380E+002 2.900 39.532 C3C +IC3H7 =C2CCJ +C3H8 1.240E+003 2.900 52.050 C3C +O =C3CJ +OH 1.670E+008 1.500 9.847 C3C +H =C3CJ +H2 2.400E+008 1.500 18.514 C3C +O =C2CCJ +OH 1.500E+009 1.500 24.292 C3C +H =C2CCJ +H2 2.160E+009 1.500 31.033 C3C =CH3 +IC3H7 7.340E+077-17.930 460.628 C3C =C2CCJ +H 1.020E+089-22.480 531.937 C3C =C3CJ +H 4.110E+085-21.790 512.016 C3C +OH =C3CJ +H2O 1.200E+006 2.000 -4.991 C3C +C2H5 =C3CJ +C2H6 6.600E+003 2.510 36.182 C3C +NC3H7 =C3CJ +C3H8 6.550E+003 2.510 36.517 CH2CHCHO+CH3OOJ =CH2CHCO +CH3OOH 1.450E+004 2.690 52.519 CCCCHO +H =CCCCJ*O +H2 2.400E+008 1.500 10.768 CCCCHO +H =CCCJC*O +H2 3.850E+008 1.500 16.416 CCCCHO +H =CCJCC*O +H2 4.800E+008 1.500 23.823 CCCCHO +H =CJCCC*O +H2 7.200E+008 1.500 31.033 CCCCHO +O =CCCCJ*O +OH 1.670E+008 1.500 6.561 CCCCHO +O =CCCJC*O +OH 2.750E+008 1.500 13.666 CCCCHO +O =CCJCC*O +OH 3.330E+008 1.500 15.973 CCCCHO +O =CJCCC*O +OH 5.000E+008 1.500 24.292 CCCCHO +OH =CCCCJ*O +H2O 1.200E+006 2.000 -4.991 CCCCHO +OH =CCCJC*O +H2O 2.410E+006 2.000 -3.483 CCCCHO +OH =CCJCC*O +H2O 2.410E+006 2.000 -1.930 CCCCHO +OH =CJCCC*O +H2O 3.610E+006 2.000 3.617 CCCCHO +CH3 =CCCCJ*O +CH4 8.150E+005 1.870 24.242 CCCCHO +CH3 =CCCJC*O +CH4 8.430E+005 1.870 31.832 CCCCHO +CH3 =CCJCC*O +CH4 1.630E+006 1.870 37.296 CCCCHO +CH3 =CJCCC*O +CH4 2.450E+006 1.870 44.506 CCCCHO +CH3OOJ =CCCCJ*O +CH3OOH 1.450E+004 2.690 55.253 CCCCHO +CH3OOJ =CCCJC*O +CH3OOH 1.060E+004 2.690 65.804 CCCCHO +CH3OOJ =CCJCC*O +CH3OOH 2.900E+004 2.690 76.459 CCCCHO +CH3OOJ =CJCCC*O +CH3OOH 4.350E+004 2.690 83.116 CCCCHO +CCOOJ =CCCCJ*O +CCOOH 1.450E+004 2.690 55.253 CCCCHO +CCOOJ =CCCJC*O +CCOOH 1.060E+004 2.690 65.804 CCCCHO +CCOOJ =CCJCC*O +CCOOH 2.900E+004 2.690 76.459 CCCCHO +CCOOJ =CJCCC*O +CCOOH 4.350E+004 2.690 83.116 CCCCHO +CCCOOJ =CCCCJ*O +CCCOOH 1.450E+004 2.690 55.253 CCCCHO +CCCOOJ =CCCJC*O +CCCOOH 1.060E+004 2.690 65.804 CCCCHO +CCCOOJ =CCJCC*O +CCCOOH 2.900E+004 2.690 76.459 CCCCHO +CCCOOJ =CJCCC*O +CCCOOH 4.350E+004 2.690 83.116 CCCCHO +C2COOJ =CCCCJ*O +C2COOH 1.450E+004 2.690 55.253 CCCCHO +C2COOJ =CCCJC*O +C2COOH 1.060E+004 2.690 65.804 CCCCHO +C2COOJ =CCJCC*O +C2COOH 2.900E+004 2.690 76.459 CCCCHO +C2COOJ =CJCCC*O +C2COOH 4.350E+004 2.690 83.116 C2C*CC +H =C*CCJC2 +H2 4.420E+008 1.500 16.270 C2C*CC +H =CC*CC2J +H2 8.840E+008 1.500 16.450 C2C*CC +H =C2C*CJC +H2 2.400E+008 1.500 44.263 C2C*CC +O =C*CCJC2 +OH 3.290E+008 1.500 19.699 C2C*CC +O =CC*CC2J +OH 6.570E+008 1.500 19.753 C2C*CC +O =C2C*CJC +OH 1.670E+008 1.500 35.868 C2C*CC +OH =C*CCJC2 +H2O 3.610E+006 2.000 -1.084 C2C*CC +OH =CC*CC2J +H2O 7.220E+006 2.000 -1.026 C2C*CC +OH =C2C*CJC +H2O 1.200E+006 2.000 10.233 C2C*CC +HO2 =C*CCJC2 +H2O2 4.760E+003 2.690 57.606 C2C*CC +HO2 =CC*CC2J +H2O2 9.510E+003 2.690 57.866 C2C*CC +HO2 =C2C*CJC +H2O2 1.450E+004 2.690 97.121 C2C*CC +CH3 =C*CCJC2 +CH4 7.890E+005 1.870 33.570 C2C*CC +CH3 =CC*CC2J +CH4 1.580E+006 1.870 33.704 C2C*CC +CH3 =C2C*CJC +CH4 8.150E+005 1.870 57.736 C2C*CC +C2H3 =C*CCJC2 +C2H4 3.080E+003 2.770 12.016 C2C*CC +C2H3 =CC*CC2J +C2H4 6.160E+003 2.770 12.150 C2C*CC +C2H3 =C2C*CJC +C2H4 3.210E+003 2.770 36.182 C2C*CC +CH3OOJ =C*CCJC2 +CH3OOH 4.760E+003 2.690 61.793 C2C*CC +CH3OOJ =CC*CC2J +CH3OOH 9.510E+003 2.690 62.053 C2C*CC +CH3OOJ =C2C*CJC +CH3OOH 1.450E+004 2.690 101.308 C2C*CC +CCOOJ =C*CCJC2 +CCOOH 4.760E+003 2.690 61.793 C2C*CC +CCOOJ =CC*CC2J +CCOOH 9.510E+003 2.690 62.053 C2C*CC +CCOOJ =C2C*CJC +CCOOH 1.450E+004 2.690 101.308 C2C*CC +CCCOOJ =C*CCJC2 +CCCOOH 4.760E+003 2.690 61.793 C2C*CC +CCCOOJ =CC*CC2J +CCCOOH 9.510E+003 2.690 62.053 C2C*CC +CCCOOJ =C2C*CJC +CCCOOH 1.450E+004 2.690 101.308 C2C*CC +C2COOJ =C*CCJC2 +C2COOH 4.760E+003 2.690 61.793 C2C*CC +C2COOJ =CC*CC2J +C2COOH 9.510E+003 2.690 62.053 C2C*CC +C2COOJ =C2C*CJC +C2COOH 1.450E+004 2.690 101.308 C*CCCC +H =C*CCJCC +H2 2.950E+008 1.500 9.295 C*CCCC +H =C*CCCJC +H2 4.800E+008 1.500 23.823 C*CCCC +H =C*CCCCJ +H2 7.200E+008 1.500 31.033 C*CCCC +O =C*CCJCC +OH 2.190E+008 1.500 11.451 C*CCCC +O =C*CCCJC +OH 3.330E+008 1.500 15.973 C*CCCC +O =C*CCCCJ +OH 5.000E+008 1.500 24.292 C*CCCC +OH =C*CCJCC +H2O 2.410E+006 2.000 -4.991 C*CCCC +OH =C*CCCJC +H2O 2.410E+006 2.000 -1.930 C*CCCC +OH =C*CCCCJ +H2O 3.610E+006 2.000 3.617 C*CCCC +HO2 =C*CCJCC +H2O2 3.170E+003 2.690 51.292 C*CCCC +HO2 =C*CCCJC +H2O2 2.900E+004 2.690 72.273 C*CCCC +HO2 =C*CCCCJ +H2O2 4.350E+004 2.690 78.930 C*CCCC +CH3 =C*CCJCC +CH4 5.260E+005 1.870 26.536 C*CCCC +CH3 =C*CCCJC +CH4 1.630E+006 1.870 37.296 C*CCCC +CH3 =C*CCCCJ +CH4 2.450E+006 1.870 44.506 C*CCCC +C2H3 =C*CCJCC +C2H4 2.050E+003 2.770 4.982 C*CCCC +C2H3 =C*CCCJC +C2H4 6.420E+003 2.770 15.742 C*CCCC +C2H3 =C*CCCCJ +C2H4 9.630E+003 2.770 22.952 C*CCCC +CH3OOJ =C*CCJCC +CH3OOH 3.170E+003 2.690 55.479 C*CCCC +CH3OOJ =C*CCCJC +CH3OOH 2.900E+004 2.690 76.459 C*CCCC +CH3OOJ =C*CCCCJ +CH3OOH 4.350E+004 2.690 83.116 C*CCCC +CCCOOJ =C*CCJCC +CCCOOH 3.170E+003 2.690 55.479 C*CCCC +CCCOOJ =C*CCCJC +CCCOOH 2.900E+004 2.690 76.459 C*CCCC +CCCOOJ =C*CCCCJ +CCCOOH 4.350E+004 2.690 83.116 C*CCCC +CCOOJ =C*CCJCC +CCOOH 3.170E+003 2.690 55.479 C*CCCC +CCOOJ =C*CCCJC +CCOOH 2.900E+004 2.690 76.459 C*CCCC +CCOOJ =C*CCCCJ +CCOOH 4.350E+004 2.690 83.116 C*CCCC +C2COOJ =C*CCJCC +C2COOH 3.170E+003 2.690 55.479 C*CCCC +C2COOJ =C*CCCJC +C2COOH 2.900E+004 2.690 76.459 C*CCCC +C2COOJ =C*CCCCJ +C2COOH 4.350E+004 2.690 83.116 C*CCC2 +H =C*CCJC2 +H2 1.470E+008 1.500 3.705 C*CCC2 +H =C*CCC2J +H2 1.440E+009 1.500 31.033 C*CCC2 +H =CJ*CCC2 +H2 4.800E+008 1.500 47.947 C*CCC2 +H =C*CJCC2 +H2 2.400E+008 1.500 44.263 C*CCC2 +O =C*CCJC2 +OH 1.100E+008 1.500 5.242 C*CCC2 +O =C*CCC2J +OH 9.990E+008 1.500 24.292 C*CCC2 +O =CJ*CCC2 +OH 3.330E+008 1.500 39.092 C*CCC2 +O =C*CJCC2 +OH 1.670E+008 1.500 35.868 C*CCC2 +OH =C*CCJC2 +H2O 1.200E+006 2.000 -4.991 C*CCC2 +OH =C*CCC2J +H2O 7.220E+006 2.000 3.617 C*CCC2 +OH =CJ*CCC2 +H2O 2.410E+006 2.000 12.075 C*CCC2 +OH =C*CJCC2 +H2O 1.200E+006 2.000 10.233 C*CCC2 +HO2 =C*CCJC2 +H2O2 1.590E+003 2.690 45.984 C*CCC2 +HO2 =C*CCC2J +H2O2 8.700E+004 2.690 78.930 C*CCC2 +HO2 =CJ*CCC2 +H2O2 2.900E+004 2.690 102.187 C*CCC2 +HO2 =C*CJCC2 +H2O2 1.450E+004 2.690 97.121 C*CCC2 +CH3 =C*CCJC2 +CH4 2.630E+005 1.870 21.018 C*CCC2 +CH3 =C*CCC2J +CH4 4.890E+006 1.870 44.506 C*CCC2 +CH3 =CJ*CCC2 +CH4 1.630E+006 1.870 61.420 C*CCC2 +CH3 =C*CJCC2 +CH4 8.150E+005 1.870 57.736 C*CCC2 +C2H3 =C*CCJC2 +C2H4 1.030E+003 2.770 -0.536 C*CCC2 +C2H3 =C*CCC2J +C2H4 1.930E+004 2.770 22.952 C*CCC2 +C2H3 =CJ*CCC2 +C2H4 6.420E+003 2.770 39.867 C*CCC2 +C2H3 =C*CJCC2 +C2H4 3.210E+003 2.770 36.182 C*CCC2 +CH3OOJ =C*CCJC2 +CH3OOH 1.590E+003 2.690 50.170 C*CCC2 +CH3OOJ =C*CCC2J +CH3OOH 8.700E+004 2.690 83.116 C*CCC2 +CH3OOJ =CJ*CCC2 +CH3OOH 2.900E+004 2.690 106.374 C*CCC2 +CH3OOJ =C*CJCC2 +CH3OOH 1.450E+004 2.690 101.308 C*CCC2 +CCOOJ =C*CCJC2 +CCOOH 1.590E+003 2.690 50.170 C*CCC2 +CCOOJ =C*CCC2J +CCOOH 8.700E+004 2.690 83.116 C*CCC2 +CCOOJ =CJ*CCC2 +CCOOH 2.900E+004 2.690 106.374 C*CCC2 +CCOOJ =C*CJCC2 +CCOOH 1.450E+004 2.690 101.308 C*CCC2 +CCCOOJ =C*CCJC2 +CCCOOH 1.590E+003 2.690 50.170 C*CCC2 +CCCOOJ =C*CCC2J +CCCOOH 8.700E+004 2.690 83.116 C*CCC2 +CCCOOJ =CJ*CCC2 +CCCOOH 2.900E+004 2.690 106.374 C*CCC2 +CCCOOJ =C*CJCC2 +CCCOOH 1.450E+004 2.690 101.308 C*CCC2 +C2COOJ =C*CCJC2 +C2COOH 1.590E+003 2.690 50.170 C*CCC2 +C2COOJ =C*CCC2J +C2COOH 8.700E+004 2.690 83.116 C*CCC2 +C2COOJ =CJ*CCC2 +C2COOH 2.900E+004 2.690 106.374 C*CCC2 +C2COOJ =C*CJCC2 +C2COOH 1.450E+004 2.690 101.308 C*CC2*C +H =C*CC2J*C+H2 4.420E+008 1.500 16.450 C*CC2*C +H =C*CJC2*C+H2 1.470E+008 1.500 35.789 C*CC2*C +H =CJ*CC2*C+H2 4.800E+008 1.500 47.947 C*CC2*C +H =C*CC2*CJ+H2 4.800E+008 1.500 47.947 C*CC2*C +O =C*CC2J*C+OH 3.290E+008 1.500 19.753 C*CC2*C +O =C*CJC2*C+OH 1.100E+008 1.500 33.243 C*CC2*C +O =CJ*CC2*C+OH 3.330E+008 1.500 39.092 C*CC2*C +O =C*CC2*CJ+OH 3.330E+008 1.500 39.092 C*CC2*C +OH =C*CC2J*C+H2O 3.610E+006 2.000 -1.026 C*CC2*C +OH =C*CJC2*C+H2O 1.200E+006 2.000 7.536 C*CC2*C +OH =CJ*CC2*C+H2O 2.410E+006 2.000 12.075 C*CC2*C +OH =C*CC2*CJ+H2O 2.410E+006 2.000 12.075 C*CC2*C +HO2 =C*CC2J*C+H2O2 4.760E+003 2.690 57.866 C*CC2*C +HO2 =C*CJC2*C+H2O2 1.590E+003 2.690 84.883 C*CC2*C +HO2 =CJ*CC2*C+H2O2 2.900E+004 2.690 102.187 C*CC2*C +HO2 =C*CC2*CJ+H2O2 2.900E+004 2.690 102.187 C*CC2*C +CH3 =C*CC2J*C+CH4 7.890E+005 1.870 33.704 C*CC2*C +CH3 =C*CJC2*C+CH4 2.630E+005 1.870 51.464 C*CC2*C +CH3 =CJ*CC2*C+CH4 1.630E+006 1.870 61.420 C*CC2*C +CH3 =C*CC2*CJ+CH4 1.630E+006 1.870 61.420 C*CC2*C +C2H3 =C*CC2J*C+C2H4 3.080E+003 2.770 12.150 C*CC2*C +C2H3 =C*CJC2*C+C2H4 1.030E+003 2.770 29.910 C*CC2*C +C2H3 =CJ*CC2*C+C2H4 6.420E+003 2.770 39.867 C*CC2*C +C2H3 =C*CC2*CJ+C2H4 6.420E+003 2.770 39.867 C*CC2*C +CH3OOJ =C*CC2J*C+CH3OOH 4.760E+003 2.690 62.053 C*CC2*C +CH3OOJ =C*CJC2*C+CH3OOH 1.590E+003 2.690 89.070 C*CC2*C +CH3OOJ =CJ*CC2*C+CH3OOH 2.900E+004 2.690 106.374 C*CC2*C +CH3OOJ =C*CC2*CJ+CH3OOH 2.900E+004 2.690 106.374 C*CC2*C +C2COOJ =C*CC2J*C+C2COOH 4.760E+003 2.690 62.053 C*CC2*C +C2COOJ =C*CJC2*C+C2COOH 1.590E+003 2.690 89.070 C*CC2*C +C2COOJ =CJ*CC2*C+C2COOH 2.900E+004 2.690 106.374 C*CC2*C +C2COOJ =C*CC2*CJ+C2COOH 2.900E+004 2.690 106.374 C*CC2*C +CCCOOJ =C*CC2J*C+CCCOOH 4.760E+003 2.690 62.053 C*CC2*C +CCCOOJ =C*CJC2*C+CCCOOH 1.590E+003 2.690 89.070 C*CC2*C +CCCOOJ =CJ*CC2*C+CCCOOH 2.900E+004 2.690 106.374 C*CC2*C +CCCOOJ =C*CC2*CJ+CCCOOH 2.900E+004 2.690 106.374 C*CC2*C +CCOOJ =C*CC2J*C+CCOOH 4.760E+003 2.690 62.053 C*CC2*C +CCOOJ =C*CJC2*C+CCOOH 1.590E+003 2.690 89.070 C*CC2*C +CCOOJ =CJ*CC2*C+CCOOH 2.900E+004 2.690 106.374 C*CC2*C +CCOOJ =C*CC2*CJ+CCOOH 2.900E+004 2.690 106.374 C*CCC*C +H =C*CCJC*C+H2 2.950E+008 1.500 -1.578 C*CCC*C +O =C*CCJC*C+OH 2.190E+008 1.500 8.068 C*CCC*C +OH =C*CCJC*C+H2O 2.410E+006 2.000 -4.991 C*CCC*C +HO2 =C*CCJC*C+H2O2 3.170E+003 2.690 35.584 C*CCC*C +CH3 =C*CCJC*C+CH4 5.260E+005 1.870 18.481 C*CCC*C +C2H3 =C*CCJC*C+C2H4 2.050E+003 2.770 -3.073 C*CCC*C +C2H5 =C*CCJC*C+C2H6 4.220E+003 2.510 22.676 C*CCC*C +O2 =C*CCJC*C+HO2 6.000E+013 0.000 136.825 C*CCC*C +C3CJ =C*CCJC*C+C3C 1.890E+001 3.120 34.189 C*CCC*C +C2H =C*CCJC*C+C2H2 2.400E+006 2.000 -4.991 C*CCC*C +NC3H7 =C*CCJC*C+C3H8 4.190E+003 2.510 23.011 C*CCC*C +IC3H7 =C*CCJC*C+C3H8 8.800E+001 2.900 26.025 C*CCC*C +CCCCJ =C*CCJC*C+C4H10 5.860E+003 2.460 24.769 C*CCC*C +CCCJC =C*CCJC*C+C4H10 7.620E+001 2.920 26.653 C*CCC*C +C2CCJ =C*CCJC*C+C3C 4.580E+003 2.500 26.234 C*CCC*C +CH3OOJ =C*CCJC*C+CH3OOH 3.170E+003 2.690 39.770 C*CCC*C +CCOOJ =C*CCJC*C+CCOOH 3.170E+003 2.690 39.770 C*CCC*C +C2COOJ =C*CCJC*C+C2COOH 3.170E+003 2.690 39.770 C*CCC*C +CCCOOJ =C*CCJC*C+CCCOOH 3.170E+003 2.690 39.770 CYC5H8 +H =CYPENE3J+H2 5.890E+008 1.500 9.295 CYC5H8 +C2H5 =CYPENE3J+C2H6 8.450E+003 2.510 30.731 CYC5H8 +C2CCJ =CYPENE3J+C3C 9.150E+003 2.500 34.290 CYC5H8 +OH =CYPENE3J+H2O 4.810E+006 2.000 -4.991 CYC5H8 +O =CYPENE3J+OH 4.380E+008 1.500 11.451 CYC5H8 +HO2 =CYPENE3J+H2O2 6.340E+003 2.690 51.292 CYC5H8 +CH3 =CYPENE3J+CH4 1.050E+006 1.870 26.536 CYC5H8 +C2H3 =CYPENE3J+C2H4 4.110E+003 2.770 4.982 CYC5H8 +CCCJC =CYPENE3J+C4H10 1.520E+002 2.920 34.709 CYC5H8 +CCCCJ =CYPENE3J+C4H10 1.170E+004 2.460 32.825 CYC5H8 +IC3H7 =CYPENE3J+C3H8 1.760E+002 2.900 34.081 CYC5H8 +NC3H7 =CYPENE3J+C3H8 8.380E+003 2.510 31.066 CYC5H8 +CCOOJ =CYPENE3J+CCOOH 6.340E+003 2.690 55.479 CYC5H8 +CH3OOJ =CYPENE3J+CH3OOH 6.340E+003 2.690 55.479 CYC5H8 +C3CJ =CYPENE3J+C3C 3.780E+001 3.120 42.245 CYC5H8 +O2 =CYPENE3J+HO2 1.200E+014 0.000 177.102 CYC5H8 +CCCOOJ =CYPENE3J+CCCOOH 6.340E+003 2.690 55.479 CYC5H8 +C2COOJ =CYPENE3J+C2COOH 6.340E+003 2.690 55.479 CYC5H8 +C2H =CYPENE3J+C2H2 4.800E+006 2.000 -4.991 CYC5H10 +C2H3 =CYC5H9J +C2H4 3.210E+004 2.770 15.742 CYC5H10 +HO2 =CYC5H9J +H2O2 1.450E+005 2.690 72.273 CYC5H10 +OH =CYC5H9J +H2O 1.200E+007 2.000 -1.930 CYC5H10 +H =CYC5H9J +H2 2.400E+009 1.500 23.823 CYC5H10 +O =CYC5H9J +OH 1.670E+009 1.500 15.973 CYC5H10 +CH3 =CYC5H9J +CH4 8.150E+006 1.870 37.296 CYC5H10 +CCOOJ =CYC5H9J +CCOOH 1.450E+005 2.690 76.459 CYC5H10 +CH3OOJ =CYC5H9J +CH3OOH 1.450E+005 2.690 76.459 CYC5H10 +CCCOOJ =CYC5H9J +CCCOOH 1.450E+005 2.690 76.459 CYC5H10 +C2COOJ =CYC5H9J +C2COOH 1.450E+005 2.690 76.459 CCCCCC =NC3H7 +NC3H7 4.050E+081-18.940 496.236 CCCCCC =CH3 +CCCCCJ 1.570E+080-18.590 501.872 CCCCCC =C2H5 +CCCCJ 3.780E+081-18.930 496.236 CCCCCC +C2COOJ =CCCCCCJ +C2COOH 8.700E+004 2.690 83.116 CCCCCC +C2COOJ =CCCCCJC +C2COOH 5.800E+004 2.690 76.459 CCCCCC +C2COOJ =CCCCJCC +C2COOH 5.800E+004 2.690 76.459 CCCCCC +CCCOOJ =CCCCCCJ +CCCOOH 8.700E+004 2.690 83.116 CCCCCC +CCCOOJ =CCCCCJC +CCCOOH 5.800E+004 2.690 76.459 CCCCCC +CCCOOJ =CCCCJCC +CCCOOH 5.800E+004 2.690 76.459 CCCCCC +CCOOJ =CCCCCCJ +CCOOH 8.700E+004 2.690 83.116 CCCCCC +CCOOJ =CCCCCJC +CCOOH 5.800E+004 2.690 76.459 CCCCCC +CCOOJ =CCCCJCC +CCOOH 5.800E+004 2.690 76.459 CCCCCC +CH3OOJ =CCCCCCJ +CH3OOH 8.700E+004 2.690 83.116 CCCCCC +CH3OOJ =CCCCCJC +CH3OOH 5.800E+004 2.690 76.459 CCCCCC +CH3OOJ =CCCCJCC +CH3OOH 5.800E+004 2.690 76.459 CCCCCC +O2 =CCCCCCJ +HO2 1.800E+014 0.000 221.063 CCCCCC +O2 =CCCCCJC +HO2 1.200E+014 0.000 209.968 CCCCCC +O2 =CCCCJCC +HO2 1.200E+014 0.000 209.968 CCCCCC +C3CJ =CCCCCCJ +C3C 1.770E+002 3.120 60.215 CCCCCC +C3CJ =CCCCCJC +C3C 1.180E+002 3.120 53.005 CCCCCC +C3CJ =CCCCJCC +C3C 1.180E+002 3.120 53.005 CCCCCC +C2CCJ =CCCCCCJ +C3C 4.290E+004 2.500 52.260 CCCCCC +C2CCJ =CCCCCJC +C3C 2.860E+004 2.500 45.050 CCCCCC +C2CCJ =CCCCJCC +C3C 2.860E+004 2.500 45.050 CCCCCC +CCCJC =CCCCCCJ +C4H10 7.140E+002 2.920 52.678 CCCCCC +CCCJC =CCCCCJC +C4H10 4.760E+002 2.920 45.469 CCCCCC +CCCJC =CCCCJCC +C4H10 4.760E+002 2.920 45.469 CCCCCC +CCCCJ =CCCCCCJ +C4H10 5.490E+004 2.460 50.794 CCCCCC +CCCCJ =CCCCCJC +C4H10 3.660E+004 2.460 43.585 CCCCCC +CCCCJ =CCCCJCC +C4H10 3.660E+004 2.460 43.585 CCCCCC +IC3H7 =CCCCCCJ +C3H8 8.250E+002 2.900 52.050 CCCCCC +IC3H7 =CCCCCJC +C3H8 5.500E+002 2.900 44.841 CCCCCC +IC3H7 =CCCCJCC +C3H8 5.500E+002 2.900 44.841 CCCCCC +NC3H7 =CCCCCCJ +C3H8 3.930E+004 2.510 49.036 CCCCCC +NC3H7 =CCCCCJC +C3H8 2.620E+004 2.510 41.826 CCCCCC +NC3H7 =CCCCJCC +C3H8 2.620E+004 2.510 41.826 CCCCCC +C2H =CCCCCCJ +C2H2 7.200E+006 2.000 -4.991 CCCCCC +C2H =CCCCCJC +C2H2 4.800E+006 2.000 -4.991 CCCCCC +C2H =CCCCJCC +C2H2 4.800E+006 2.000 -4.991 CCCCCC +C2H3 =CCCCCCJ +C2H4 1.930E+004 2.770 22.952 CCCCCC +C2H3 =CCCCCJC +C2H4 1.280E+004 2.770 15.742 CCCCCC +C2H3 =CCCCJCC +C2H4 1.280E+004 2.770 15.742 CCCCCC +C2H5 =CCCCCCJ +C2H6 3.960E+004 2.510 48.701 CCCCCC +C2H5 =CCCCCJC +C2H6 2.640E+004 2.510 41.491 CCCCCC +C2H5 =CCCCJCC +C2H6 2.640E+004 2.510 41.491 CCCCCC +CH3 =CCCCCCJ +CH4 4.890E+006 1.870 44.506 CCCCCC +CH3 =CCCCCJC +CH4 3.260E+006 1.870 37.296 CCCCCC +CH3 =CCCCJCC +CH4 3.260E+006 1.870 37.296 CCCCCC +HO2 =CCCCCCJ +H2O2 8.700E+004 2.690 78.930 CCCCCC +HO2 =CCCCCJC +H2O2 5.800E+004 2.690 72.273 CCCCCC +HO2 =CCCCJCC +H2O2 5.800E+004 2.690 72.273 CCCCCC +OH =CCCCCCJ +H2O 7.220E+006 2.000 3.617 CCCCCC +OH =CCCCCJC +H2O 4.810E+006 2.000 -1.930 CCCCCC +OH =CCCCJCC +H2O 4.810E+006 2.000 -1.930 CCCCCC +O =CCCCCCJ +OH 9.990E+008 1.500 24.292 CCCCCC +O =CCCCCJC +OH 6.660E+008 1.500 15.973 CCCCCC +O =CCCCJCC +OH 6.660E+008 1.500 15.973 CCCCCC +H =CCCCCCJ +H2 1.440E+009 1.500 31.033 CCCCCC +H =CCCCCJC +H2 9.600E+008 1.500 23.823 CCCCCC +H =CCCCJCC +H2 9.600E+008 1.500 23.823 C2CCC2 +H =C2CCC2J +H2 2.880E+009 1.500 31.033 C2CCC2 +H =C2CCJC2 +H2 4.800E+008 1.500 18.514 C2CCC2 +O =C2CCC2J +OH 2.000E+009 1.500 24.292 C2CCC2 +O =C2CCJC2 +OH 3.330E+008 1.500 9.847 C2CCC2 +OH =C2CCC2J +H2O 1.440E+007 2.000 3.617 C2CCC2 +OH =C2CCJC2 +H2O 2.410E+006 2.000 -4.991 C2CCC2 +HO2 =C2CCC2J +H2O2 1.740E+005 2.690 78.930 C2CCC2 +HO2 =C2CCJC2 +H2O2 2.900E+004 2.690 67.374 C2CCC2 +CH3 =C2CCC2J +CH4 9.780E+006 1.870 44.506 C2CCC2 +CH3 =C2CCJC2 +CH4 1.630E+006 1.870 31.987 C2CCC2 +C2H5 =C2CCC2J +C2H6 7.920E+004 2.510 48.701 C2CCC2 +C2H5 =C2CCJC2 +C2H6 1.320E+004 2.510 36.182 C2CCC2 +C2H3 =C2CCC2J +C2H4 3.850E+004 2.770 22.952 C2CCC2 +C2H3 =C2CCJC2 +C2H4 6.420E+003 2.770 10.434 C2CCC2 +C2H =C2CCC2J +C2H2 1.440E+007 2.000 -4.991 C2CCC2 +C2H =C2CCJC2 +C2H2 2.400E+006 2.000 -4.991 C2CCC2 +NC3H7 =C2CCC2J +C3H8 7.860E+004 2.510 49.036 C2CCC2 +NC3H7 =C2CCJC2 +C3H8 1.310E+004 2.510 36.517 C2CCC2 +IC3H7 =C2CCC2J +C3H8 1.650E+003 2.900 52.050 C2CCC2 +IC3H7 =C2CCJC2 +C3H8 2.750E+002 2.900 39.532 C2CCC2 +CCCCJ =C2CCC2J +C4H10 1.100E+005 2.460 50.794 C2CCC2 +CCCCJ =C2CCJC2 +C4H10 1.830E+004 2.460 38.276 C2CCC2 +CCCJC =C2CCC2J +C4H10 1.430E+003 2.920 52.678 C2CCC2 +CCCJC =C2CCJC2 +C4H10 2.380E+002 2.920 40.160 C2CCC2 +C2CCJ =C2CCC2J +C3C 8.580E+004 2.500 52.260 C2CCC2 +C2CCJ =C2CCJC2 +C3C 1.430E+004 2.500 39.741 C2CCC2 +C3CJ =C2CCC2J +C3C 3.540E+002 3.120 60.215 C2CCC2 +C3CJ =C2CCJC2 +C3C 5.900E+001 3.120 47.696 C2CCC2 +O2 =C2CCC2J +HO2 3.600E+014 0.000 221.063 C2CCC2 +O2 =C2CCJC2 +HO2 6.000E+013 0.000 201.804 C2CCC2 +CH3OOJ =C2CCC2J +CH3OOH 1.740E+005 2.690 83.116 C2CCC2 +CH3OOJ =C2CCJC2 +CH3OOH 2.900E+004 2.690 71.561 C2CCC2 +CCOOJ =C2CCC2J +CCOOH 1.740E+005 2.690 83.116 C2CCC2 +CCOOJ =C2CCJC2 +CCOOH 2.900E+004 2.690 71.561 C2CCC2 +CCCOOJ =C2CCC2J +CCCOOH 1.740E+005 2.690 83.116 C2CCC2 +CCCOOJ =C2CCJC2 +CCCOOH 2.900E+004 2.690 71.561 C2CCC2 +C2COOJ =C2CCC2J +C2COOH 1.740E+005 2.690 83.116 C2CCC2 +C2COOJ =C2CCJC2 +C2COOH 2.900E+004 2.690 71.561 C2CCC2 =IC3H7 +IC3H7 6.900E+079-18.470 477.735 C2CCC2 =CH3 +C2CCJC 8.220E+076-17.640 483.680 MECY24PD+OH =LONGD021+H2O 1.200E+006 2.000 -4.991 MECY24PD+OH =LONGD022+H2O 3.610E+006 2.000 3.617 MECY24PD+O =LONGD021+OH 1.100E+008 1.500 8.780 MECY24PD+O =LONGD022+OH 5.000E+008 1.500 24.292 MECY24PD+H =LONGD021+H2 1.470E+008 1.500 0.703 MECY24PD+H =LONGD022+H2 7.200E+008 1.500 31.033 MECY24PD=LONGD021+H 3.020E+060-13.790 407.338 MECY24PD=LONGD022+H 3.240E+030 -5.690 398.190 MECY24PD+CH3 =LONGD021+CH4 2.630E+005 1.870 20.172 MECY24PD+CH3 =LONGD022+CH4 2.450E+006 1.870 44.506 C@CC(*)E+C2H3 =LONGD016+C2H4 6.420E+003 2.770 39.867 C@CC(*)E+CH3 =LONGD016+CH4 1.630E+006 1.870 61.420 C@CC(*)E+OH =LONGD016+H2O 2.410E+006 2.000 12.075 C@CC(*)E+O =LONGD016+OH 3.330E+008 1.500 39.092 C@CC(*)E+H =LONGD016+H2 4.800E+008 1.500 47.947 ME2CYBE =C6H6 5.560E+039 -7.390 368.398 ME2CYBE =BENZYNE +H2 8.820E+028 -4.440 418.764 ME2CYBE =C6H5 +H 2.230E+030 -4.390 404.249 ME2CYBE +H =ME2JCYBE+H2 9.600E+008 1.500 47.947 ME2CYBE +H =ME2CYBEJ+H2 4.800E+008 1.500 44.263 ME2CYBE +OH =ME2JCYBE+H2O 4.810E+006 2.000 12.075 ME2CYBE +OH =ME2CYBEJ+H2O 2.410E+006 2.000 10.233 ME2CYBE +O =ME2JCYBE+OH 6.660E+008 1.500 39.092 ME2CYBE +O =ME2CYBEJ+OH 3.330E+008 1.500 35.868 ME2CYBE +CH3 =ME2JCYBE+CH4 3.260E+006 1.870 61.420 ME2CYBE +CH3 =ME2CYBEJ+CH4 1.630E+006 1.870 57.736 ME2CYBE +C2H3 =ME2JCYBE+C2H4 1.280E+004 2.770 39.867 ME2CYBE +C2H3 =ME2CYBEJ+C2H4 6.420E+003 2.770 36.182 CYC6H10 +H =CYC6H9A +H2 5.890E+008 1.500 7.293 CYC6H10 +C2CCJ =CYC6H9A +C3C 9.150E+003 2.500 32.808 CYC6H10 +HO2 =CYC6H9A +H2O2 6.340E+003 2.690 48.399 CYC6H10 +C2H5 =CYC6H9A +C2H6 8.450E+003 2.510 29.249 CYC6H10 +O =CYC6H9A +OH 4.380E+008 1.500 10.827 CYC6H10 +OH =CYC6H9A +H2O 4.810E+006 2.000 -4.991 CYC6H10 +CH3 =CYC6H9A +CH4 1.050E+006 1.870 25.054 CYC6H10 +NC3H7 =CYC6H9A +C3H8 8.380E+003 2.510 29.584 CYC6H10 +IC3H7 =CYC6H9A +C3H8 1.760E+002 2.900 32.598 CYC6H10 +CCCCJ =CYC6H9A +C4H10 1.170E+004 2.460 31.342 CYC6H10 +CCCJC =CYC6H9A +C4H10 1.520E+002 2.920 33.226 CYC6H10 +C2H3 =CYC6H9A +C2H4 4.110E+003 2.770 3.500 CYC6H10 +CCOOJ =CYC6H9A +CCOOH 6.340E+003 2.690 52.586 CYC6H10 +CH3OOJ =CYC6H9A +CH3OOH 6.340E+003 2.690 52.586 CYC6H10 +C3CJ =CYC6H9A +C3C 3.780E+001 3.120 40.763 CYC6H10 +O2 =CYC6H9A +HO2 1.200E+014 0.000 169.691 CYC6H10 +CCCOOJ =CYC6H9A +CCCOOH 6.340E+003 2.690 52.586 CYC6H10 +C2COOJ =CYC6H9A +C2COOH 6.340E+003 2.690 52.586 CYC6H10 +C2H =CYC6H9A +C2H2 4.800E+006 2.000 -4.991 CYC6H12 +HO2 =CYC6H11 +H2O2 1.740E+005 2.690 71.393 CYC6H12 +NC3H7 =CYC6H11 +C3H8 7.860E+004 2.510 40.872 CYC6H12 +CH3 =CYC6H11 +CH4 9.780E+006 1.870 36.341 CYC6H12 +OH =CYC6H11 +H2O 1.440E+007 2.000 -2.663 CYC6H12 +O =CYC6H11 +OH 2.000E+009 1.500 14.872 CYC6H12 +H =CYC6H11 +H2 2.880E+009 1.500 22.868 CYC6H12 +IC3H7 =CYC6H11 +C3H8 1.650E+003 2.900 43.886 CYC6H12 +CCCCJ =CYC6H11 +C4H10 1.100E+005 2.460 42.630 CYC6H12 +C2H3 =CYC6H11 +C2H4 3.850E+004 2.770 14.788 CYC6H12 +C2H5 =CYC6H11 +C2H6 7.920E+004 2.510 40.537 CYC6H12 +CCCJC =CYC6H11 +C4H10 1.430E+003 2.920 44.514 CYC6H12 +CCOOJ =CYC6H11 +CCOOH 1.740E+005 2.690 75.580 CYC6H12 +CH3OOJ =CYC6H11 +CH3OOH 1.740E+005 2.690 75.580 CYC6H12 +C3CJ =CYC6H11 +C3C 3.540E+002 3.120 52.050 CYC6H12 +C2CCJ =CYC6H11 +C3C 8.580E+004 2.500 44.095 CYC6H12 +O2 =CYC6H11 +HO2 3.600E+014 0.000 208.503 CYC6H12 +CCCOOJ =CYC6H11 +CCCOOH 1.740E+005 2.690 75.580 CYC6H12 +C2COOJ =CYC6H11 +C2COOH 1.740E+005 2.690 75.580 CYC6H12 =CYC6H11 +H 3.790E+049 -9.630 501.524 CYC6H12 +C2H =CYC6H11 +C2H2 1.440E+007 2.000 -4.991 LONGD001+H =C@CVJC@C+H2 2.950E+008 1.500 35.768 LONGD001+O =C@CVJC@C+OH 2.190E+008 1.500 33.235 LONGD001+C2H3 =C@CVJC@C+C2H4 2.050E+003 2.770 29.894 LONGD001+CH3 =C@CVJC@C+CH4 5.260E+005 1.870 51.447 LONGD001+OH =C@CVJC@C+H2O 2.410E+006 2.000 7.528 LONGD002+H =C6H3 +H2 4.800E+008 1.500 47.947 LONGD002+H =V*V*VJ +H2 1.470E+008 1.500 35.822 LONGD002+O =C6H3 +OH 3.330E+008 1.500 39.092 LONGD002+O =V*V*VJ +OH 1.100E+008 1.500 33.252 LONGD002+OH =C6H3 +H2O 2.410E+006 2.000 12.075 LONGD002+OH =V*V*VJ +H2O 1.200E+006 2.000 7.549 LONGD002+CH3 =C6H3 +CH4 1.630E+006 1.870 61.420 LONGD002+CH3 =V*V*VJ +CH4 2.630E+005 1.870 51.489 LONGD002+C2H3 =C6H3 +C2H4 6.420E+003 2.770 39.867 LONGD002+C2H3 =V*V*VJ +C2H4 1.030E+003 2.770 29.936 LONGD003+H =V*V*VJ +H2 5.890E+008 1.500 -2.336 LONGD003+O =V*V*VJ +OH 4.380E+008 1.500 13.909 LONGD003+OH =V*V*VJ +H2O 4.810E+006 2.000 -4.991 LONGD003+CH3 =V*V*VJ +CH4 1.050E+006 1.870 19.787 LONGD003+C2H3 =V*V*VJ +C2H4 4.110E+003 2.770 -1.767 LONGD004+O =C@CCJ*CV+OH 1.100E+008 1.500 33.231 LONGD004+O =C@CC*CJV+OH 1.100E+008 1.500 33.231 LONGD004+O =AC*C*CJ +OH 1.100E+008 1.500 32.628 LONGD004+O =C6H5(L) +OH 3.330E+008 1.500 39.092 LONGD004+H =C@CCJ*CV+H2 1.470E+008 1.500 35.755 LONGD004+H =C@CC*CJV+H2 1.470E+008 1.500 35.755 LONGD004+H =AC*C*CJ +H2 1.470E+008 1.500 33.813 LONGD004+H =C6H5(L) +H2 4.800E+008 1.500 47.947 LONGD004+OH =C@CCJ*CV+H2O 1.200E+006 2.000 7.528 LONGD004+OH =C@CC*CJV+H2O 1.200E+006 2.000 7.528 LONGD004+OH =AC*C*CJ +H2O 1.200E+006 2.000 6.908 LONGD004+OH =C6H5(L) +H2O 2.410E+006 2.000 12.075 LONGD004+CH3 =C@CCJ*CV+CH4 2.630E+005 1.870 51.439 LONGD004+CH3 =C@CC*CJV+CH4 2.630E+005 1.870 51.439 LONGD004+CH3 =AC*C*CJ +CH4 2.630E+005 1.870 49.999 LONGD004+CH3 =C6H5(L) +CH4 1.630E+006 1.870 61.420 LONGD004+C2H3 =C@CCJ*CV+C2H4 1.030E+003 2.770 29.885 LONGD004+C2H3 =C@CC*CJV+C2H4 1.030E+003 2.770 29.885 LONGD004+C2H3 =AC*C*CJ +C2H4 1.030E+003 2.770 28.445 LONGD004+C2H3 =C6H5(L) +C2H4 6.420E+003 2.770 39.867 LONGD005+H =AC*C*CJ +H2 2.950E+008 1.500 5.464 LONGD005+H =C*C*CJCE+H2 1.470E+008 1.500 10.877 LONGD005+H =LONGD017+H2 2.950E+008 1.500 11.137 LONGD005+O =AC*C*CJ +OH 2.190E+008 1.500 10.258 LONGD005+O =C*C*CJCE+OH 1.100E+008 1.500 11.945 LONGD005+O =LONGD017+OH 2.190E+008 1.500 12.024 LONGD005+OH =AC*C*CJ +H2O 2.410E+006 2.000 -4.991 LONGD005+OH =C*C*CJCE+H2O 1.200E+006 2.000 -4.991 LONGD005+OH =LONGD017+H2O 2.410E+006 2.000 -4.991 LONGD005+CH3 =AC*C*CJ +CH4 5.260E+005 1.870 23.697 LONGD005+CH3 =C*C*CJCE+CH4 2.630E+005 1.870 27.708 LONGD005+CH3 =LONGD017+CH4 5.260E+005 1.870 27.901 LONGD005+C2H3 =AC*C*CJ +C2H4 2.050E+003 2.770 2.144 LONGD005+C2H3 =C*C*CJCE+C2H4 1.030E+003 2.770 6.155 LONGD005+C2H3 =LONGD017+C2H4 2.050E+003 2.770 6.347 CH3OOJ +CH3 =CH3O +CH3O 1.000E+013 0.000 0.000 CH3OOJ +CH3OOJ =CH3O +CH3O +O2 7.800E+011 0.000 0.000 CH3OOJ +C2H5 =CH3 +CH2O +CH3O 1.000E+013 0.000 0.000 CH3OOJ =CH3O +O 1.580E+025 -4.620 255.575 CH3OOJ =CH2O +OH 2.540E+040 -8.780 150.876 CH3OOJ +H =CH3O +OH 9.550E+013 0.000 0.000 CH3OOJ +HO2 =CH3OOH +O2 4.570E+010 0.000 -10.886 HC*O(OJ)=CO2 +H 9.950E+022 -4.110 75.375 CJCOOH =C2H4 +HO2 3.060E+035 -7.270 92.729 CYCJCO =CH2CO +H 2.560E+018 -2.820 43.903 CYCJCO =CH2CHO 1.650E+017 -2.790 44.012 CJCYCOO =CH2CHO +O 1.560E+035 -7.400 113.148 CJCYCOO =C2H2 +HO2 4.920E+025 -4.970 109.661 CJCYCOO =CH2O +HCO 4.580E+021 -4.140 111.327 CJCYCOO =HCJ*CHOJ+OH 1.930E+034 -7.460 135.481 CJCYCOO =CJOCHO 2.000E+017 -3.600 27.323 CCOOJ =CJCOOH 7.010E+054-13.030 186.426 CCOOJ =CH3CH2O +O 1.220E+033 -6.430 272.406 C*COOJ =CH2CHO +O 1.130E+036 -7.510 178.647 C*COOJ =C2H2 +HO2 8.080E+024 -4.700 168.159 C*COOJ =CH2O +HCO 5.170E+019 -3.580 166.233 C*COOJ =CJ*COOH 2.550E+045-10.790 208.067 C*COOJ =HCJ*CHOJ+OH 2.230E+041 -9.280 224.693 C*COOJ =CJCYCOO 7.260E+042 -9.990 160.886 C*COOJ =CJOCHO 1.030E+035 -8.370 146.948 CJ*COOH =CH2CHO +O 2.180E+046-11.280 114.120 CJ*COOH =C2H2 +HO2 3.280E+038 -9.510 104.645 CJ*COOH =CH2O +HCO 6.820E+034 -8.920 102.803 CJ*COOH =HCJ*CHOJ+OH 1.030E+029 -5.760 79.386 CJ*COOH =CJCYCOO 4.220E+045-11.560 108.961 CJ*COOH =CJOCHO 3.440E+040-10.720 83.485 CJ*CC =C3H4 +H 1.200E+048-10.950 226.110 CJ*CC =C3H4P +H 6.530E+045-10.340 220.774 CJ*CC =C2H2 +CH3 1.270E+049-11.400 186.324 CJ*CC +C3H4 =C3H6 +H2CCCH 4.110E+003 2.770 11.112 C*CJC +CH3 =C3H4 +CH4 3.000E+012 0.000 0.000 C*CJC +H =C3H4P +H2 2.000E+012 0.000 0.000 C*CJC +H =C3H4 +H2 3.000E+012 0.000 0.000 C*CJC +CH3 =C3H4P +CH4 2.000E+012 0.000 0.000 C*CJC +C2H5 =C3H4P +C2H6 2.000E+012 0.000 0.000 C*CJC +C2H5 =C3H4 +C2H6 3.000E+012 0.000 0.000 C*CJC +C2H3 =C3H4P +C2H4 2.000E+012 0.000 0.000 C*CJC +C2H3 =C3H4 +C2H4 3.000E+012 0.000 0.000 C*CJC +C3H5 =C3H4P +C3H6 2.000E+012 0.000 0.000 C*CJC +C*CJC =C3H4P +C3H6 2.000E+012 0.000 0.000 C*CJC +C*CJC =C3H4 +C3H6 3.000E+012 0.000 0.000 C*CJC +C3H4 =C3H6 +H2CCCH 4.110E+003 2.770 12.786 C*CJC =C3H4 +H 5.790E+047-10.920 212.843 C*CJC =C3H4P +H 1.780E+047-10.880 200.520 C*CJC =CJ*CC 8.380E+059-14.830 234.582 C*CJC =C2H2 +CH3 2.220E+047-10.510 234.339 C*CJC +O2 =CH2CO +CH3 +O 2.230E+012 -0.030 0.783 C*CJC +O2 =CH3CO +CH2O 1.180E+018 -1.870 6.561 C*CJC +O2 =C3H4P +HO2 1.370E+006 1.530 -1.470 CCCOJ =CH2O +C2H5 3.900E+034 -7.430 90.397 CCCOJ =C2H5CHO +H 3.320E+029 -6.100 94.207 CCCOJ =CJCCOH 2.780E+044-11.060 68.576 CCCOJ =C2H4 +CH2OH 5.360E+031 -6.670 111.545 CCCOOJ =C3H6 +HO2 5.250E+071-17.650 224.040 CCCOOJ =C2H5CHO +OH 4.760E+050-11.800 221.335 C2COJ =CH3CHO +CH3 1.370E+030 -6.460 57.883 C2COJ =CH3COCH3+H 2.290E+022 -4.250 60.683 C2COJ =C2CJOH 3.810E+047-12.040 135.129 C2COJ =C2JCOH 2.930E+014 -2.620 97.029 C2CJOH =CH3CHO +CH3 5.510E+057-13.670 215.176 C2CJOH =CH3COCH3+H 4.030E+056-13.550 217.492 C2CJOH =C2JCOH 2.370E+052-13.350 230.538 C2JCOH =CH3CHO +CH3 1.330E+015 -1.500 128.053 C2JCOH =CH3COCH3+H 3.840E+012 -0.910 128.547 CJCCOH =CH2O +C2H5 4.910E+043-10.040 121.547 CJCCOH =C2H5CHO +H 4.450E+037 -8.460 121.978 CJCCOH =C2H4 +CH2OH 3.580E+028 -5.550 117.976 CCJCHO =H +CH2CHCHO 1.900E+050-11.250 220.527 CJCCHO =HCO +C2H4 1.400E+028 -5.340 106.462 CCJCOOH =CCCOOJ 4.710E+033 -7.300 85.972 CCJCOOH =C3H6 +HO2 1.390E+035 -7.180 87.157 C2JCOOH =C2COOJ 1.100E+040 -8.760 111.507 C2JCOOH =C3H6 +HO2 2.540E+040 -8.560 122.054 C2JCOOH =CH3 +C*COOH 5.930E+036 -7.340 167.933 C2COOJ =C3H6 +HO2 7.100E+061-14.900 200.728 C2COOJ =OH +CH3COCH3 6.240E+056-13.670 226.870 C*CCOJ =CH2CHCHO+H 1.340E+034 -6.720 109.912 C*CCOOJ =CYCCJCOO 7.090E+030 -6.540 42.718 C*CCOOJ =C*CCJOOH 2.450E+022 -3.780 159.404 C*CCJOOH=CH2CHCHO+OH 3.150E+014 -1.550 2.466 CYCCJCOO=O*CCCOJ 7.170E+030 -5.670 171.918 O*CCCOJ =CH2CHO +CH2O 4.850E+039 -8.530 104.557 CCCCJ =C2H5 +C2H4 1.340E+051-11.920 172.924 CCCCJ =C4H8 +H 1.070E+051-11.950 203.980 CCCCJ =CCCJC 1.560E+093-25.270 260.304 CCCCJ =CH3 +C3H6 1.160E+071-17.560 260.947 CCCCJ =CC*CC +H 9.000E+071-18.480 256.423 CCCCJ +HO2 =OH +NC3H7 +CH2O 2.400E+013 0.000 0.000 CCCCJ +O2 =CCCCOOJ 1.060E+061-14.760 84.180 CCCCJ +O2 =CCCCOJ +O 1.230E+017 -1.200 120.777 CCCCJ +O2 =OH +CCCCHO 2.250E+023 -3.560 92.378 CCCCJ +O2 =CJCCCOOH 6.280E+060-14.790 132.131 CCCCJ +O2 =C2H4 +CJCOOH 1.290E+041 -8.510 149.259 CCCCJ +O2 =CCJCCOOH 1.320E+059-14.030 107.990 CCCCJ +O2 =C3H6 +CH2O +OH 9.910E+036 -7.170 123.268 CCCCJ +O2 =CCCJCOOH 5.880E+062-15.520 114.258 CCCCJ +O2 =C4H8 +HO2 1.210E+047-10.230 105.939 CCCJC =C2H5 +C2H4 8.960E+077-20.050 276.404 CCCJC =C4H8 +H 3.100E+068-17.450 272.307 CCCJC =CH3 +C3H6 7.280E+065-16.110 211.553 CCCJC =CC*CC +H 7.880E+071-18.530 229.991 CCCJC +HO2 =OH +CH3CHO +C2H5 2.400E+013 0.000 0.000 CCCJC +O2 =CCOOJCC 4.250E+066-16.590 90.343 CCCJC +O2 =CCOJCC +O 2.780E+014 -0.640 125.508 CCCJC +O2 =OH +CCC*OC 3.860E+017 -2.200 70.024 CCCJC +O2 =CCOOHCJC 2.580E+066-16.540 121.643 CCCJC +O2 =CC*CC +HO2 5.900E+046-10.280 109.719 CCCJC +O2 =CJCOOHCC 3.510E+055-13.690 91.055 CCCJC +O2 =C4H8 +HO2 1.070E+032 -6.210 65.984 CCCJC +O2 =CCOOHCCJ 1.660E+065-16.170 123.812 CCCJC +O2 =C2H4 +CH3CHO +OH 8.060E+042 -9.120 128.627 C2CCJ =C2C*C +H 3.720E+051-12.340 197.507 C2CCJ =C3CJ 1.420E+082-21.610 245.467 C3CJ =C2C*C +H 1.420E+071-17.770 287.568 C3CJ +O2 =C3COOJ 7.270E+066-16.560 93.948 C3CJ +O2 =C3COJ +O 7.950E+015 -1.070 124.846 C3CJ +O2 =C3JCOOH 1.610E+070-17.520 132.387 C3CJ +O2 =C2C*C +HO2 5.020E+049-10.920 119.190 C3CJ +O2 =C2CYC2O +OH 1.690E+044 -9.590 117.356 C@CCCJ =C4H4 +H 3.840E+056-13.290 214.317 C@CCCJ =C2H +C2H4 3.840E+056-13.290 214.317 C@CCCJ =C@CCJC 1.580E+077-19.980 257.749 C@CCJC =C2H +C2H4 9.390E+050-11.760 343.071 C@CCJC =C4H4 +H 8.410E+052-11.890 265.015 CJ*CCC =C2H3 +C2H4 5.310E+047-10.840 173.493 CJ*CCC =C4H613 +H 1.100E+048-11.150 168.564 CJ*CCC =C2H5 +C2H2 1.330E+035 -7.650 141.141 CJ*CCC =C4H6-1 +H 3.180E+031 -6.720 155.502 CJ*CCC =I-C4H7 4.560E+073-19.180 225.649 CJ*CCC =C4H612 +H 3.620E+043-10.070 211.678 CJ*CCC =C*CJCC 4.660E+063-16.480 225.820 I-C4H7 =C2H5 +C2H2 8.040E+070-17.450 360.114 I-C4H7 =C4H6-1 +H 1.500E+066-16.350 359.079 I-C4H7 =C4H612 +H 5.020E+061-14.730 319.908 I-C4H7 =C*CJCC 1.530E+076-19.160 335.992 I-C4H7 +O2 =CC*CCOOJ 3.610E+021 -4.040 -30.882 I-C4H7 +O2 =CC*CCOJ +O 4.550E+027 -4.000 242.977 I-C4H7 +O2 =CC*CCHO +OH 5.940E+011 -0.190 80.692 I-C4H7 +O2 =LONGD014 6.410E+041 -9.380 61.278 I-C4H7 +O2 =C4H613 +HO2 1.390E+028 -4.750 87.404 I-C4H7 +O2 =C*CCOOJC 5.930E+027 -5.790 -16.806 I-C4H7 +O2 =C*CCOJC +O 6.750E+025 -3.480 222.708 I-C4H7 +O2 =LONGD015 1.330E+051-12.310 67.994 I-C4H7 +O2 =CC*OCCOJ 1.170E+017 -1.640 86.951 I-C4H7 +O2 =LONGD012 1.870E+037 -8.350 116.816 I-C4H7 +O2 =C4H612 +HO2 2.420E+023 -3.580 129.728 I-C4H7 +HO2 =OH +CH2O +CJ*CC 9.600E+012 0.000 0.000 C*CJCC =C2H3 +C2H4 2.380E+070-17.300 280.877 C*CJCC =C4H613 +H 2.900E+071-17.820 281.482 C*CJCC =C2H5 +C2H2 2.630E+049-11.580 236.671 C*CJCC =C4H6-1 +H 3.090E+039 -8.910 223.562 C*CJCC =C4H612 +H 7.160E+059-14.590 251.606 C*CJCC +O2 =CH2CO +C2H5 +O 2.230E+012 -0.030 0.783 C*CJCC +O2 =C2H5CO +CH2O 1.180E+018 -1.870 6.561 C*CJCC +O2 =C4H6-1 +HO2 1.370E+006 1.530 -1.470 CCJ*CC =C3H4P +CH3 7.360E+049-11.660 190.491 CCJ*CC =C4H612 +H 5.060E+044-10.030 202.417 CCJ*CC =CC*CCJ 6.040E+061-14.940 211.562 CC*CCJ =C3H4P +CH3 1.230E+053-11.630 320.422 CC*CCJ =C4H612 +H 9.690E+058-13.300 342.836 C2C*CJ =C2JC*C 2.380E+062-15.230 207.672 C2C*CJ =C3H4 +CH3 1.650E+038 -7.800 208.256 C2JC*C =C3H4P +CH3 7.710E+058-13.290 330.239 C2JC*C =C3H4 +CH3 3.620E+035 -6.700 257.718 C*CC*CJ =C4H4 +H 1.760E+064-15.780 239.364 C*CC*CJ =C*CCJ*C 1.740E+063-15.570 237.069 C*CC*CJ +C2H4 =LONGD019 2.110E+043 -9.200 95.313 C*CC*CJ +C2H4 =LONGD006+H 6.820E+021 -2.680 83.087 C*CC*CJ +C2H4 =CYC6H9A 1.200E+035 -7.650 32.603 C*CC*CJ +C2H4 =C6H813 +H 3.270E+034 -6.560 86.700 C*CC*CJ +C2H2 =C*CC*CVJ 1.780E+007 0.630 16.341 C*CC*CJ +C2H2 =LONGD004+H 2.920E+008 1.210 83.146 C*CC*CJ +O2 =CH2CO +C2H3 +O 2.230E+012 -0.030 0.783 C*CC*CJ +O2 =CH2CHCHO+HCO 1.180E+018 -1.870 6.561 C*CCJ*C =C4H4 +H 1.670E+061-14.100 318.925 CCCCOJ =CCCCHO +H 1.340E+034 -6.720 109.912 CCCCOJ =NC3H7 +CH2O 4.850E+039 -8.530 104.557 CCCCOOJ =CCJCCOOH 3.270E+009 0.000 35.211 CCCCOOJ =CCCJCOOH 4.350E+009 0.000 54.847 CCCCJ*O =NC3H7 +CO 4.280E+011 -0.830 22.014 CCCJC*O =CH3 +CH2CHCHO 2.850E+033 -6.640 140.932 CCJCC*O =HCO +C3H6 3.140E+025 -4.560 96.238 CJCCC*O =CH2CHO +C2H4 8.040E+022 -3.780 92.817 CCCJCOOH=C4H8 +HO2 3.520E+041 -8.970 106.567 CCJCCOOH=C3H6 +CH2O +OH 2.640E+040 -8.080 194.025 CJCCCOOH=CCCCOOJ 5.450E+045-10.330 151.181 CJCCCOOH=C2H4 +CJCOOH 1.020E+053-11.590 220.632 CCOJCC =CCC*OC +H 1.340E+034 -6.720 109.912 CCOJCC =C2H5 +CH3CHO 4.850E+039 -8.530 104.557 CCOOJCC =CCOOHCCJ 2.510E+008 0.000 39.105 CCOOJCC =CCOOHCJC 1.820E+071-17.880 206.229 CCOOHCCJ=C2H4 +CH3CHO +OH 5.660E+053-11.950 202.867 CCOOHCJC=CC*CC +HO2 2.210E+039 -8.220 117.595 CJCOOHCC=CCOOJCC 8.370E+038 -8.720 104.310 CJCOOHCC=C4H8 +HO2 1.260E+040 -8.500 109.188 C3COJ =CH3COCH3+CH3 4.850E+039 -8.530 104.557 C3COOJ =C3JCOOH 8.110E+009 0.000 57.778 C3COOJ =C3COJ +O 5.780E+041 -8.960 277.463 C3JCOOH =C2C*C +HO2 3.340E+043 -9.390 130.285 C3JCOOH =C2CYC2O +OH 1.530E+041 -8.900 143.415 C*CCCOJ =C3H5 +CH2O 4.850E+039 -8.530 104.557 CCOJCCHO=CH3CHO +CH2CHO 4.850E+039 -8.530 104.557 C*CCCOOJ=CCOJCCHO 1.270E+055-13.270 129.674 C*CCCOOJ=LONGD013 3.430E+055-13.220 133.023 CC*CCOJ =CC*CCHO +H 1.340E+034 -6.720 109.912 C*CCOJC =C*CC*OC +H 1.340E+034 -6.720 109.912 CC*OCCOJ=CH3COCH2+CH2O 4.850E+039 -8.530 104.557 CC*CCOOJ=LONGD014 7.000E+021 -4.350 26.950 CC*CCOOJ=LONGD012 1.560E+023 -4.610 135.200 C*CCOOJC=C4H613 +HO2 1.120E+028 -5.870 118.432 C*CCC*CJ=CYPENE4J 2.720E+059-15.250 115.349 C*CCC*CJ=C5H6 +H 7.770E+031 -6.540 96.771 CYPENE3J=C*CCJC*C 1.110E+034 -6.850 87.362 CYPENE3J=C5H6 +H 1.000E+026 -4.660 212.095 CYPENE4J=C5H6 +H 2.590E+043 -9.390 199.551 CYC5H9J =C*CCC*C +H 4.830E+012 -0.720 179.940 CYC5H9J =CYC5H8 +H 3.990E+010 -0.660 53.156 C@CCCCJ =CYPENE1J 5.630E+048-12.080 108.153 C*CC2J*C=C2H3 +C3H4 7.950E+022 -2.660 304.883 CJ*CC2*C=C*CJC +C2H2 3.130E+021 -2.400 195.984 C*CC2*CJ=CH3 +C4H4 1.290E+019 -1.610 142.267 C*CC2*CJ=C2H3 +C3H4P 5.540E+021 -2.370 196.947 C*CCCJC =C*CC*CC +H 4.700E+038 -8.030 174.322 C*CCCJC =C*CCC*C +H 5.790E+031 -6.160 175.582 C*CCC2J =CH3 +C4H613 2.160E+038 -8.180 146.735 C*CCC2J =C*CC2*C +H 3.940E+031 -6.100 146.618 C*CCJC2 =H +C*CC2*C 5.690E+013 0.320 200.338 CJ*CCC2 =IC3H7 +C2H2 2.320E+020 -2.130 130.670 C*CJCC2 =CH3 +C4H612 2.060E+018 -1.480 133.852 CC*CC2J =H +C*CC2*C 4.410E+013 -0.010 199.543 CC*CC2J =CH3 +C4H612 1.130E+020 -1.880 241.411 C2C*CJC =CH3 +CC@CC 2.400E+017 -1.350 134.354 C*CCCCJ =C*CCC*C +H 1.040E+011 -0.290 135.514 C*CCCCJ =CYC5H9J 7.030E+023 -5.880 -3.797 C*CCCCJ =CYC5H8 +H 4.180E+015 -2.220 62.601 CCCCCJ =NC3H7 +C2H4 4.240E+031 -6.090 130.264 CCCCCJ =CCCCJC 2.350E+019 -2.410 157.888 CCCCCJ =CCCJCC 1.370E+019 -2.600 151.261 CCCCJC =C2H5 +C3H6 9.410E+030 -5.920 127.262 CCCJCC =CH3 +C4H8 9.410E+030 -5.920 127.262 C2CCJC =CH3 +CC*CC 4.800E+033 -6.630 140.069 C6H7 =LONGD004+H 4.780E+025 -3.490 401.192 C6H7 =C6H6 +H 4.920E+024 -4.260 93.286 CYC6H9 =LONGD006+H 6.960E+046 -9.770 282.977 CYC6H9 =C6H813 +H 1.490E+039 -8.110 193.104 CYC6H9 =C6H814 +H 2.140E+039 -8.190 195.662 CYC6H9A =LONGD006+H 2.200E+051-10.910 337.067 CYC6H9A =C6H813 +H 1.070E+046 -9.830 253.641 CYC6H11 =CYC6H10 +H 5.400E+010 -0.630 77.083 CYC6H11 =C*CCCCCJ 3.290E+019 -2.890 71.573 C@CCJ*CV=H +LONGD002 8.350E+042 -9.100 220.456 C@CC*CJV=C2H +C4H4 7.950E+034 -6.430 290.149 C@CC*CJV=H +LONGD002 1.170E+042 -8.760 219.200 C*CC*CVJ=LONGD004+H 3.680E+008 0.510 149.410 C*CC*CVJ=C6H7 3.000E+012 -1.850 -2.650 C*CC*CVJ=C6H6 +H 4.930E+013 -1.360 17.639 C*CCCCCJ=C*CCCJ +C2H4 2.860E+030 -5.770 126.806 CCCCCCJ =CCCCJ +C2H4 4.240E+031 -6.090 130.264 CCCCCCJ =CCCCCJC 3.030E+021 -2.970 166.852 CCCCCCJ =CCCCJCC 7.090E+020 -3.050 159.031 CCCCCJC =NC3H7 +C3H6 9.410E+030 -5.920 127.262 CCCCCJC =CCCCJCC 7.850E+037 -7.470 214.276 CCCCJCC =CH3 +C*CCCC 2.740E+028 -5.360 129.125 CCCCJCC =C2H5 +C4H8 8.870E+031 -6.230 127.961 C2CCC2J =IC3H7 +C3H6 1.140E+023 -3.870 79.960 C2CCC2J =CH3 +C*CCC2 7.460E+016 -2.280 82.446 C2CCC2J =C2CCJC2 3.210E+034 -6.790 193.020 C2CCJC2 =CH3 +C2C*CC 4.800E+033 -6.630 140.069 AC*C*CJ =H +LONGD001 1.310E+044 -9.130 266.222 ACJ*C*C =H +LONGD003 2.920E+042 -8.470 371.972 V(E)CJ*C=H +C@CC(*)E 1.460E+042 -8.620 254.733 V(E)C*CJ=H +C@CC(*)E 1.520E+009 -0.460 81.082 V(E)C*CJ=H2CCCCH +C2H2 3.520E+019 -2.880 80.973 VC(E)*CJ=C2H +C4H4 1.540E+023 -3.380 221.725 ME2JCYBE=AC*C*CJ 5.390E+023 -3.990 86.102 ME2JCYBE=V(E)C*CJ 1.060E+010 -0.350 108.844 ME2CYBEJ=ACJ*C*C 3.120E+021 -3.450 75.362 ME2CYBEJ=V(E)CJ*C 9.180E+014 -2.040 75.082 CYC5VJ =C6H5(L) 6.660E+039 -8.170 203.968 CYC52JV =LONGD018 1.290E+041 -8.330 268.696 CYC52JV =V(E)C*CJ 3.180E+050-11.020 267.842 CYC53JV =AC*C*CJ 5.480E+024 -4.260 107.659 a1c2h@ +H =C8H6 1.000E+013 0.000 0.000 A1C2HJ2 +C2H2 =LONGD009 1.000E+013 0.000 0.000 a1c2h3* +H =C8H8 6.400E+020 -2.150 7.921 a1c2h3* +C2H2 =C10H8 +H 5.550E+025 -3.910 54.818 a1c2h3* +O2 >LONGD001+CH2O +HCO 2.000E+012 0.000 31.351 a2r5@ +H =A2R5 1.000E+013 0.000 0.000 C8H6 +H =a1c2h@ +H2 1.000E+014 0.000 0.000 C8H6 +OH =a1c2h@ +H2O 2.100E+013 0.000 19.113 C8H6 +C2H =a1c2h@ +C2H2 2.000E+013 0.000 0.000 C8H6 +C2H =A1C2HJ2 +C2H2 2.000E+013 0.000 0.000 C8H8 +H =a1c2h3* +H2 2.500E+014 0.000 67.006 C8H8 +OH =a1c2h3* +H2O 2.100E+013 0.000 19.129 C8H8 +OH >C6H6 +CH3CO 1.000E+011 0.000 0.000 LONGD009=C10H7J1 1.000E+010 0.000 0.000 LONGD012=C4H612 +HO2 1.310E+039 -8.190 113.291 LONGD013=C4H613 +HO2 1.740E+038 -7.770 150.545 LONGD014=C4H613 +HO2 4.650E+039 -8.160 141.510 LONGD015=CC*OCCOJ 9.270E+032 -6.200 177.843 LONGD017=C2H +C4H4 3.610E+027 -4.580 243.395 LONGD017=LONGD001+H 8.810E+044 -9.510 233.159 LONGD019=LONGD006+H 2.720E+047-10.110 234.888 LONGD019=CYC6H9A 1.170E+051-12.370 105.315 LONGD019=C6H813 +H 1.510E+056-12.900 211.877 LONGD020=CYC6H9 6.610E+025 -5.460 33.591 LONGD020=LONGD006+H 3.980E+051-11.180 270.191 LONGD020=C6H814 +H 3.080E+046-10.270 193.711 LONGD020=C6H813 +H 2.460E+046-10.200 191.601 O2 +C6H5 >C4H4 +HCO +CO 1.000E+013 0.000 0.000 O2 +a1c2h@ >LONGD001+HCO +CO 1.000E+013 0.000 0.000 O2 +A1C2HJ2 >LONGD001+HCO +CO 1.000E+013 0.000 0.000 O2 +LONGD009>A1C2HJ2 +HCO +HCO 1.000E+013 0.000 0.000 O2 +C10H7J1 >C8H6 +HCO +CO 1.000E+013 0.000 0.000 O2 +a2r5@ >C10H7J1 +CO +CO 1.000E+013 0.000 0.000 H2 +C2COOJ =H +C2COOH 2.900E+004 2.690 90.904 H2 +CCCOOJ =H +CCCOOH 2.900E+004 2.690 90.904 H2 +CCOOJ =H +CCOOH 2.900E+004 2.690 90.904 H2 +CH3OOJ =H +CH3OOH 2.900E+004 2.690 90.904 H2O +CH3OOJ =OH +CH3OOH 2.900E+004 2.690 129.037 H2O +CCOOJ =OH +CCOOH 2.900E+004 2.690 129.037 H2O +C2COOJ =OH +C2COOH 2.900E+004 2.690 129.037 H2O +CCCOOJ =OH +CCCOOH 2.900E+004 2.690 129.037 H2O2 +C2COOJ =HO2 +C2COOH 2.900E+004 2.690 53.943 H2O2 +CCCOOJ =HO2 +CCCOOH 2.900E+004 2.690 53.943 H2O2 +CCOOJ =HO2 +CCOOH 2.900E+004 2.690 53.943 H2O2 +CH3OOJ =HO2 +CH3OOH 2.900E+004 2.690 53.943 CH2O +CCCCJ =HCO +C4H10 1.830E+004 2.460 30.530 CH2O +CCCJC =HCO +C4H10 2.380E+002 2.920 32.414 CH2O +C2CCJ =HCO +C3C 1.430E+004 2.500 31.996 CH2O +C3CJ =HCO +C3C 5.900E+001 3.120 39.950 CH2O +C2COOJ =HCO +C2COOH 2.900E+004 2.690 55.253 CH2O +CH3OOJ =HCO +CH3OOH 2.900E+004 2.690 55.253 CH2O +CCOOJ =HCO +CCOOH 2.900E+004 2.690 55.253 CH2O +CCCOOJ =HCO +CCCOOH 2.900E+004 2.690 55.253 CH4 +C2COOJ =CH3 +C2COOH 5.800E+004 2.690 92.461 CH4 +CCCOOJ =CH3 +CCCOOH 5.800E+004 2.690 92.461 CH4 +CCOOJ =CH3 +CCOOH 5.800E+004 2.690 92.461 CH4 +CH3OOJ =CH3 +CH3OOH 5.800E+004 2.690 92.461 CH3OH +C3CJ =CH3O +C3C 2.950E+001 3.120 68.270 CH3OH +C3CJ =CH2OH +C3C 6.700E+001 3.120 56.338 CH3OH +C2CCJ =CH3O +C3C 7.150E+003 2.500 60.315 CH3OH +C2CCJ =CH2OH +C3C 1.620E+004 2.500 48.383 CH3OH +CCCJC =CH3O +C4H10 1.190E+002 2.920 60.734 CH3OH +CCCJC =CH2OH +C4H10 2.700E+002 2.920 48.801 CH3OH +CCCCJ =CH3O +C4H10 9.150E+003 2.460 58.850 CH3OH +CCCCJ =CH2OH +C4H10 2.080E+004 2.460 46.917 CH3OH +C2COOJ =CH3O +C2COOH 1.450E+004 2.690 90.552 CH3OH +C2COOJ =CH2OH +C2COOH 2.970E+004 2.690 75.542 CH3OH +CCCOOJ =CH2OH +CCCOOH 2.970E+004 2.690 75.542 CH3OH +CCOOJ =CH3O +CCOOH 1.450E+004 2.690 90.552 CH3OH +CCOOJ =CH2OH +CCOOH 2.970E+004 2.690 75.542 CH3OH +CH3OOJ =CH3O +CH3OOH 1.450E+004 2.690 90.552 CH3OH +CH3OOJ =CH2OH +CH3OOH 2.970E+004 2.690 75.542 CH3OH +CCCOOJ =CH3O +CCCOOH 1.450E+004 2.690 90.552 C2H5OH +C2COOJ =CH2CH2OH+C2COOH 4.350E+004 2.690 83.116 C2H5OH +C2COOJ =CH3CHOH +C2COOH 1.480E+004 2.690 69.220 C2H5OH +C2COOJ =CH3CH2O +C2COOH 1.450E+004 2.690 90.552 C2H5OH +CCCOOJ =CH2CH2OH+CCCOOH 4.350E+004 2.690 83.116 C2H5OH +CCCOOJ =CH3CHOH +CCCOOH 1.480E+004 2.690 69.220 C2H5OH +CCCOOJ =CH3CH2O +CCCOOH 1.450E+004 2.690 90.552 C2H5OH +CCOOJ =CH2CH2OH+CCOOH 4.350E+004 2.690 83.116 C2H5OH +CCOOJ =CH3CHOH +CCOOH 1.480E+004 2.690 69.220 C2H5OH +CCOOJ =CH3CH2O +CCOOH 1.450E+004 2.690 90.552 C2H5OH +CH3OOJ =CH2CH2OH+CH3OOH 4.350E+004 2.690 83.116 C2H5OH +CH3OOJ =CH3CHOH +CH3OOH 1.480E+004 2.690 69.220 C2H5OH +CH3OOJ =CH3CH2O +CH3OOH 1.450E+004 2.690 90.552 C2H5OH +C3CJ =CH2CH2OH+C3C 8.850E+001 3.120 60.215 C2H5OH +C3CJ =CH3CHOH +C3C 3.690E+001 3.120 49.291 C2H5OH +C3CJ =CH3CH2O +C3C 2.950E+001 3.120 68.270 C2H5OH +C2CCJ =CH2CH2OH+C3C 2.150E+004 2.500 52.260 C2H5OH +C2CCJ =CH3CHOH +C3C 8.950E+003 2.500 41.336 C2H5OH +C2CCJ =CH3CH2O +C3C 7.150E+003 2.500 60.315 C2H5OH +CCCJC =CH2CH2OH+C4H10 3.570E+002 2.920 52.678 C2H5OH +CCCJC =CH3CHOH +C4H10 1.490E+002 2.920 41.755 C2H5OH +CCCJC =CH3CH2O +C4H10 1.190E+002 2.920 60.734 C2H5OH +CCCCJ =CH2CH2OH+C4H10 2.750E+004 2.460 50.794 C2H5OH +CCCCJ =CH3CHOH +C4H10 1.150E+004 2.460 39.871 C2H5OH +CCCCJ =CH3CH2O +C4H10 9.150E+003 2.460 58.850 C2H2 +C2COOJ =C2H +C2COOH 2.900E+004 2.690 162.498 C2H2 +CCCOOJ =C2H +CCCOOH 2.900E+004 2.690 162.498 C2H2 +CCOOJ =C2H +CCOOH 2.900E+004 2.690 162.498 C2H2 +CH3OOJ =C2H +CH3OOH 2.900E+004 2.690 162.498 CH2CO +C3CJ =HCCO +C3C 1.890E+001 3.120 72.105 CH2CO +C2CCJ =HCCO +C3C 4.580E+003 2.500 64.150 CH2CO +CCCJC =HCCO +C4H10 7.620E+001 2.920 64.569 CH2CO +CCCCJ =HCCO +C4H10 5.860E+003 2.460 62.685 CH2CO +C2COOJ =HCCO +C2COOH 3.170E+003 2.690 96.577 CH2CO +CCCOOJ =HCCO +CCCOOH 3.170E+003 2.690 96.577 CH2CO +CCOOJ =HCCO +CCOOH 3.170E+003 2.690 96.577 CH2CO +CH3OOJ =HCCO +CH3OOH 3.170E+003 2.690 96.577 C2H4 +C2COOJ =C2H3 +C2COOH 5.800E+004 2.690 106.374 C2H4 +CCCOOJ =C2H3 +CCCOOH 5.800E+004 2.690 106.374 C2H4 +CCOOJ =C2H3 +CCOOH 5.800E+004 2.690 106.374 C2H4 +CH3OOJ =C2H3 +CH3OOH 5.800E+004 2.690 106.374 CH3CHO +CCCCJ =CH2CHO +C4H10 1.780E+004 2.460 45.146 CH3CHO +CCCCJ =CH3CO +C4H10 9.150E+003 2.460 30.530 CH3CHO +CCCJC =CH2CHO +C4H10 2.310E+002 2.920 47.030 CH3CHO +CCCJC =CH3CO +C4H10 1.190E+002 2.920 32.414 CH3CHO +C2CCJ =CH2CHO +C3C 1.390E+004 2.500 46.612 CH3CHO +C2CCJ =CH3CO +C3C 7.150E+003 2.500 31.996 CH3CHO +C3CJ =CH2CHO +C3C 5.720E+001 3.120 54.567 CH3CHO +C3CJ =CH3CO +C3C 2.950E+001 3.120 39.950 CH3CHO +CH3OOJ =CH2CHO +CH3OOH 2.340E+004 2.690 72.088 CH3CHO +CH3OOJ =CH3CO +CH3OOH 1.450E+004 2.690 55.253 CH3CHO +CCOOJ =CH2CHO +CCOOH 2.340E+004 2.690 72.088 CH3CHO +CCOOJ =CH3CO +CCOOH 1.450E+004 2.690 55.253 CH3CHO +CCCOOJ =CH2CHO +CCCOOH 2.340E+004 2.690 72.088 CH3CHO +CCCOOJ =CH3CO +CCCOOH 1.450E+004 2.690 55.253 CH3CHO +C2COOJ =CH2CHO +C2COOH 2.340E+004 2.690 72.088 CH3CHO +C2COOJ =CH3CO +C2COOH 1.450E+004 2.690 55.253 C2H6 +CCCOOJ =C2H5 +CCCOOH 8.700E+004 2.690 83.116 C2H6 +C2COOJ =C2H5 +C2COOH 8.700E+004 2.690 83.116 C2H6 +CCOOJ =C2H5 +CCOOH 8.700E+004 2.690 83.116 C2H6 +CH3OOJ =C2H5 +CH3OOH 8.700E+004 2.690 83.116 CH3OCH3 +CCCCJ =CH3OCH2 +C4H10 4.160E+004 2.460 46.917 CH3OCH3 +CCCJC =CH3OCH2 +C4H10 5.410E+002 2.920 48.801 CH3OCH3 +C2CCJ =CH3OCH2 +C3C 3.250E+004 2.500 48.383 CH3OCH3 +C3CJ =CH3OCH2 +C3C 1.340E+002 3.120 56.338 CH3OCH3 +CH3OOJ =CH3OCH2 +CH3OOH 5.940E+004 2.690 75.542 CH3OCH3 +CCOOJ =CH3OCH2 +CCOOH 5.940E+004 2.690 75.542 CH3OCH3 +CCCOOJ =CH3OCH2 +CCCOOH 5.940E+004 2.690 75.542 CH3OCH3 +C2COOJ =CH3OCH2 +C2COOH 5.940E+004 2.690 75.542 C3H4 +CCCCJ =H2CCCH +C4H10 1.170E+004 2.460 38.954 C3H4 +CCCJC =H2CCCH +C4H10 1.520E+002 2.920 40.838 C3H4 +C2CCJ =H2CCCH +C3C 9.150E+003 2.500 40.419 C3H4 +C3CJ =H2CCCH +C3C 3.780E+001 3.120 48.374 C3H4 +CH3OOJ =H2CCCH +CH3OOH 6.340E+003 2.690 60.026 C3H4 +CCCOOJ =H2CCCH +CCCOOH 6.340E+003 2.690 60.026 C3H4 +CCOOJ =H2CCCH +CCOOH 6.340E+003 2.690 60.026 C3H4 +C2COOJ =H2CCCH +C2COOH 6.340E+003 2.690 60.026 C3H6 +HO2 =C*CJC +H2O2 1.450E+004 2.690 97.121 C3H6 +OH =C*CJC +H2O 1.200E+006 2.000 10.233 C3H6 +H =CJ*CC +H2 4.800E+008 1.500 47.947 C3H6 +H =C*CJC +H2 2.400E+008 1.500 44.263 C3H6 +O =C*CJC +OH 1.670E+008 1.500 35.868 C3H6 +O =CJ*CC +OH 3.330E+008 1.500 39.092 C3H6 +OH =CJ*CC +H2O 2.410E+006 2.000 12.075 C3H6 =C*CJC +H 4.840E+052-11.520 511.568 C3H6 =CJ*CC +H 3.500E+054-12.070 523.245 C3H6 +CH3 =CJ*CC +CH4 1.630E+006 1.870 61.420 C3H6 +CH3 =C*CJC +CH4 8.150E+005 1.870 57.736 C3H6 +HO2 =CJ*CC +H2O2 2.900E+004 2.690 102.187 C3H6 +C2H5 =CJ*CC +C2H6 1.320E+004 2.510 65.616 C3H6 +C2H5 =C*CJC +C2H6 6.600E+003 2.510 61.931 C3H6 +C2H =CJ*CC +C2H2 2.400E+006 2.000 -1.842 C3H6 +C2H3 =CJ*CC +C2H4 6.420E+003 2.770 39.867 C3H6 +C2H3 =C*CJC +C2H4 3.210E+003 2.770 36.182 C3H6 +C2H =C*CJC +C2H2 1.200E+006 2.000 -3.684 C3H6 +NC3H7 =C*CJC +C3H8 6.550E+003 2.510 62.266 C3H6 +NC3H7 =CJ*CC +C3H8 1.310E+004 2.510 65.950 C3H6 +IC3H7 =C*CJC +C3H8 1.380E+002 2.900 65.281 C3H6 +IC3H7 =CJ*CC +C3H8 2.750E+002 2.900 68.965 C3H6 +C3CJ =C3H5 +C3C 2.830E+001 3.120 49.337 C3H6 +C2CCJ =CJ*CC +C3C 1.430E+004 2.500 69.174 C3H6 +C2CCJ =C*CJC +C3C 7.150E+003 2.500 65.490 C3H6 +C3CJ =CJ*CC +C3C 5.900E+001 3.120 77.129 C3H6 +C3CJ =C*CJC +C3C 2.950E+001 3.120 73.445 C3H6 +CCCJC =C3H5 +C4H10 1.140E+002 2.920 41.801 C3H6 +CCCCJ =CJ*CC +C4H10 1.830E+004 2.460 67.709 C3H6 +CCCCJ =C3H5 +C4H10 8.780E+003 2.460 39.917 C3H6 +CCCCJ =C*CJC +C4H10 9.150E+003 2.460 64.025 C3H6 +CCCJC =C*CJC +C4H10 1.190E+002 2.920 65.909 C3H6 +CCCJC =CJ*CC +C4H10 2.380E+002 2.920 69.593 C3H6 +C2CCJ =C3H5 +C3C 6.860E+003 2.500 41.382 C3H6 +C2COOJ =C3H5 +C2COOH 4.760E+003 2.690 61.881 C3H6 +CCCOOJ =CJ*CC +CCCOOH 2.900E+004 2.690 106.374 C3H6 +CCCOOJ =C*CJC +CCCOOH 1.450E+004 2.690 101.308 C3H6 +CCCOOJ =C3H5 +CCCOOH 4.760E+003 2.690 61.881 C3H6 +O2 =CJ*CC +HO2 6.000E+013 0.000 263.350 C3H6 +CH3OOJ =C3H5 +CH3OOH 4.760E+003 2.690 61.881 C3H6 +O2 =C*CJC +HO2 3.000E+013 0.000 254.139 C3H6 +CH3OOJ =CJ*CC +CH3OOH 2.900E+004 2.690 106.374 C3H6 +CH3OOJ =C*CJC +CH3OOH 1.450E+004 2.690 101.308 C3H6 +CCOOJ =CJ*CC +CCOOH 2.900E+004 2.690 106.374 C3H6 +CCOOJ =C*CJC +CCOOH 1.450E+004 2.690 101.308 C3H6 +CCOOJ =C3H5 +CCOOH 4.760E+003 2.690 61.881 C3H6 +C2COOJ =CJ*CC +C2COOH 2.900E+004 2.690 106.374 C3H6 +C2COOJ =C*CJC +C2COOH 1.450E+004 2.690 101.308 CH3COCH3+C3CJ =CH3COCH2+C3C 1.140E+002 3.120 54.567 CH3COCH3+C2CCJ =CH3COCH2+C3C 2.770E+004 2.500 46.612 CH3COCH3+CCCJC =CH3COCH2+C4H10 4.620E+002 2.920 47.030 CH3COCH3+CCCCJ =CH3COCH2+C4H10 3.550E+004 2.460 45.146 CH3COCH3+CCOOJ =CH3COCH2+CCOOH 4.680E+004 2.690 72.088 CH3COCH3+C2COOJ =CH3COCH2+C2COOH 4.680E+004 2.690 72.088 CH3COCH3+CH3OOJ =CH3COCH2+CH3OOH 4.680E+004 2.690 72.088 CH3COCH3+CCCOOJ =CH3COCH2+CCCOOH 4.680E+004 2.690 72.088 CH2CHCHO+H =CH2CHCO +H2 2.400E+008 1.500 10.634 CH2CHCHO+CH3 =CH2CHCO +CH4 8.150E+005 1.870 24.108 CH2CHCHO+CCCOOJ =CH2CHCO +CCCOOH 1.450E+004 2.690 52.519 CH2CHCHO+CCOOJ =CH2CHCO +CCOOH 1.450E+004 2.690 52.519 CH2CHCHO+C2COOJ =CH2CHCO +C2COOH 1.450E+004 2.690 52.519 C2H5CHO +CCCCJ =C2H5CO +C4H10 3.310E+003 2.460 30.530 C2H5CHO +CCCCJ =CCJCHO +C4H10 9.430E+003 2.460 38.121 C2H5CHO +CCCCJ =CJCCHO +C4H10 2.750E+004 2.460 50.794 C2H5CHO +CCCJC =C2H5CO +C4H10 4.310E+001 2.920 32.414 C2H5CHO +CCCJC =CCJCHO +C4H10 1.230E+002 2.920 40.005 C2H5CHO +CCCJC =CJCCHO +C4H10 3.570E+002 2.920 52.678 C2H5CHO +C2CCJ =C2H5CO +C3C 2.590E+003 2.500 31.996 C2H5CHO +C2CCJ =CCJCHO +C3C 7.370E+003 2.500 39.586 C2H5CHO +C2CCJ =CJCCHO +C3C 2.150E+004 2.500 52.260 C2H5CHO +H =C2H5CO +H2 2.400E+008 1.500 10.768 C2H5CHO +H =CCJCHO +H2 3.850E+008 1.500 16.416 C2H5CHO +H =CJCCHO +H2 7.200E+008 1.500 31.033 C2H5CHO +O =CCJCHO +OH 2.750E+008 1.500 13.666 C2H5CHO +O =CJCCHO +OH 5.000E+008 1.500 24.292 C2H5CHO +OH =CCJCHO +H2O 2.410E+006 2.000 -3.483 C2H5CHO +OH =CJCCHO +H2O 3.610E+006 2.000 3.617 C2H5CHO +HO2 =C2H5CO +H2O2 1.450E+004 2.690 51.066 C2H5CHO +HO2 =CCJCHO +H2O2 1.060E+004 2.690 61.617 C2H5CHO +HO2 =CJCCHO +H2O2 4.350E+004 2.690 78.930 C2H5CHO +CH3 =C2H5CO +CH4 8.150E+005 1.870 24.242 C2H5CHO +CH3 =CCJCHO +CH4 8.430E+005 1.870 31.832 C2H5CHO +CH3 =CJCCHO +CH4 2.450E+006 1.870 44.506 C2H5CHO +C2H5 =CCJCHO +C2H6 6.800E+003 2.510 36.027 C2H5CHO +C2H5 =CJCCHO +C2H6 1.980E+004 2.510 48.701 C2H5CHO +C2H =C2H5CO +C2H2 1.200E+006 2.000 -4.991 C2H5CHO +C2H =CCJCHO +C2H2 2.400E+006 2.000 -4.991 C2H5CHO +C2H =CJCCHO +C2H2 3.600E+006 2.000 -4.991 C2H5CHO +C2H3 =C2H5CO +C2H4 1.160E+003 2.770 2.688 C2H5CHO +C2H3 =CCJCHO +C2H4 3.310E+003 2.770 10.279 C2H5CHO +C2H3 =CJCCHO +C2H4 9.630E+003 2.770 22.952 C2H5CHO +NC3H7 =C2H5CO +C3H8 2.370E+003 2.510 28.772 C2H5CHO +NC3H7 =CCJCHO +C3H8 6.750E+003 2.510 36.362 C2H5CHO +NC3H7 =CJCCHO +C3H8 1.970E+004 2.510 49.036 C2H5CHO +IC3H7 =C2H5CO +C3H8 4.980E+001 2.900 31.786 C2H5CHO +IC3H7 =CCJCHO +C3H8 1.420E+002 2.900 39.377 C2H5CHO +IC3H7 =CJCCHO +C3H8 4.130E+002 2.900 52.050 C2H5CHO +CCOOJ =C2H5CO +CCOOH 1.450E+004 2.690 55.253 C2H5CHO +CCOOJ =CCJCHO +CCOOH 1.060E+004 2.690 65.804 C2H5CHO +CCOOJ =CJCCHO +CCOOH 4.350E+004 2.690 83.116 C2H5CHO +CCCOOJ =C2H5CO +CCCOOH 1.450E+004 2.690 55.253 C2H5CHO +CCCOOJ =CCJCHO +CCCOOH 1.060E+004 2.690 65.804 C2H5CHO +CCCOOJ =CJCCHO +CCCOOH 4.350E+004 2.690 83.116 C2H5CHO +C2COOJ =C2H5CO +C2COOH 1.450E+004 2.690 55.253 C2H5CHO +C2COOJ =CCJCHO +C2COOH 1.060E+004 2.690 65.804 C2H5CHO +C2COOJ =CJCCHO +C2COOH 4.350E+004 2.690 83.116 C2H5CHO =H +C2H5CO 1.200E+067-15.730 469.663 C2H5CHO =H +CCJCHO 1.090E+064-15.170 473.167 C2H5CHO =H +CJCCHO 2.120E+056-12.880 485.677 C2H5CHO +CH3OOJ =C2H5CO +CH3OOH 1.450E+004 2.690 55.253 C2H5CHO +CH3OOJ =CCJCHO +CH3OOH 1.060E+004 2.690 65.804 C2H5CHO +CH3OOJ =CJCCHO +CH3OOH 4.350E+004 2.690 83.116 C2H5CHO +O2 =C2H5CO +HO2 3.000E+013 0.000 170.403 C2H5CHO +O2 =CCJCHO +HO2 6.000E+013 0.000 182.544 C2H5CHO +O2 =CJCCHO +HO2 9.000E+013 0.000 221.063 C2H5CHO +C3CJ =C2H5CO +C3C 1.070E+001 3.120 39.950 C2H5CHO +C3CJ =CCJCHO +C3C 3.040E+001 3.120 47.541 C2H5CHO +C3CJ =CJCCHO +C3C 8.850E+001 3.120 60.215 C3H4P +C2COOJ =H2CCCH +C2COOH 4.760E+003 2.690 64.012 C3H4P +CCCOOJ =H2CCCH +CCCOOH 4.760E+003 2.690 64.012 C3H4P +CCOOJ =H2CCCH +CCOOH 4.760E+003 2.690 64.012 C3H4P +CH3OOJ =H2CCCH +CH3OOH 4.760E+003 2.690 64.012 C3H4P +C3CJ =H2CCCH +C3C 2.830E+001 3.120 50.417 C3H4P +C2CCJ =H2CCCH +C3C 6.860E+003 2.500 42.463 C3H4P +CCCJC =H2CCCH +C4H10 1.140E+002 2.920 42.881 C3H4P +CCCCJ =H2CCCH +C4H10 8.780E+003 2.460 40.997 C3H8 +CCOOJ =IC3H7 +CCOOH 2.900E+004 2.690 76.459 C3H8 +CCOOJ =NC3H7 +CCOOH 8.700E+004 2.690 83.116 C3H8 +C2COOJ =IC3H7 +C2COOH 2.900E+004 2.690 76.459 C3H8 +C2COOJ =NC3H7 +C2COOH 8.700E+004 2.690 83.116 C3H8 +CCCOOJ =NC3H7 +CCCOOH 8.700E+004 2.690 83.116 C3H8 +CCCOOJ =IC3H7 +CCCOOH 2.900E+004 2.690 76.459 C3H8 +CH3OOJ =IC3H7 +CH3OOH 2.900E+004 2.690 76.459 C3H8 +CH3OOJ =NC3H7 +CH3OOH 8.700E+004 2.690 83.116 C4H8 +H =I-C4H7 +H2 2.950E+008 1.500 9.295 C4H8 +O =C*CJCC +OH 1.670E+008 1.500 35.885 C4H8 +O =I-C4H7 +OH 2.190E+008 1.500 11.451 C4H8 +H =C*CJCC +H2 2.400E+008 1.500 44.280 C4H8 +O =CJ*CCC +OH 3.330E+008 1.500 39.092 C4H8 =C*CJCC +H 2.920E+061-14.340 521.776 C4H8 +H =CJ*CCC +H2 4.800E+008 1.500 47.947 C4H8 +OH =CJ*CCC +H2O 2.410E+006 2.000 12.075 C4H8 +HO2 =I-C4H7 +H2O2 3.170E+003 2.690 51.292 C4H8 +OH =I-C4H7 +H2O 2.410E+006 2.000 -4.991 C4H8 +OH =C*CJCC +H2O 1.200E+006 2.000 10.241 C4H8 +CH3 =CJ*CCC +CH4 1.630E+006 1.870 61.420 C4H8 +C2H5 =I-C4H7 +C2H6 4.220E+003 2.510 30.731 C4H8 +CH3 =C*CJCC +CH4 8.150E+005 1.870 57.753 C4H8 +CH3 =I-C4H7 +CH4 5.260E+005 1.870 26.536 C4H8 +HO2 =C*CJCC +H2O2 1.450E+004 2.690 97.146 C4H8 +HO2 =CJ*CCC +H2O2 2.900E+004 2.690 102.187 C4H8 +C2H5 =C*CJCC +C2H6 6.600E+003 2.510 61.948 C4H8 +C2H5 =CJ*CCC +C2H6 1.320E+004 2.510 65.616 C4H8 +C2H3 =I-C4H7 +C2H4 2.050E+003 2.770 4.982 C4H8 +C2H3 =C*CJCC +C2H4 3.210E+003 2.770 36.199 C4H8 +C2H3 =CJ*CCC +C2H4 6.420E+003 2.770 39.867 C4H8 +C2H =I-C4H7 +C2H2 2.400E+006 2.000 -4.991 C4H8 +C2H =C*CJCC +C2H2 1.200E+006 2.000 -3.676 C4H8 +C2H =CJ*CCC +C2H2 2.400E+006 2.000 -1.842 C4H8 +NC3H7 =I-C4H7 +C3H8 4.190E+003 2.510 31.066 C4H8 +NC3H7 =C*CJCC +C3H8 6.550E+003 2.510 62.283 C4H8 +NC3H7 =CJ*CCC +C3H8 1.310E+004 2.510 65.950 C4H8 +IC3H7 =I-C4H7 +C3H8 8.800E+001 2.900 34.081 C4H8 +IC3H7 =CJ*CCC +C3H8 2.750E+002 2.900 68.965 C4H8 +CCCCJ =I-C4H7 +C4H10 5.860E+003 2.460 32.825 C4H8 +CCCCJ =C*CCCJ +C4H10 2.750E+004 2.460 50.794 C4H8 +CCCCJ =C*CJCC +C4H10 9.150E+003 2.460 64.041 C4H8 +CCCCJ =CJ*CCC +C4H10 1.830E+004 2.460 67.709 C4H8 +CCCJC =I-C4H7 +C4H10 7.620E+001 2.920 34.709 C4H8 +CCCJC =C*CCCJ +C4H10 3.570E+002 2.920 52.678 C4H8 +CCCJC =C*CJCC +C4H10 1.190E+002 2.920 65.925 C4H8 +CCCJC =CJ*CCC +C4H10 2.380E+002 2.920 69.593 C4H8 +C2CCJ =I-C4H7 +C3C 4.580E+003 2.500 34.290 C4H8 +C2CCJ =C*CCCJ +C3C 2.150E+004 2.500 52.260 C4H8 +IC3H7 =C*CJCC +C3H8 1.380E+002 2.900 65.297 C4H8 +C2CCJ =C*CJCC +C3C 7.150E+003 2.500 65.507 C4H8 +C2CCJ =CJ*CCC +C3C 1.430E+004 2.500 69.174 C4H8 +C3CJ =I-C4H7 +C3C 1.890E+001 3.120 42.245 C4H8 +C3CJ =C*CCCJ +C3C 8.850E+001 3.120 60.215 C4H8 +C3CJ =C*CJCC +C3C 2.950E+001 3.120 73.462 C4H8 +C3CJ =CJ*CCC +C3C 5.900E+001 3.120 77.129 C4H8 +CH3OOJ =C*CJCC +CH3OOH 1.450E+004 2.690 101.333 C4H8 +CCOOJ =C*CCCJ +CCOOH 4.350E+004 2.690 83.116 C4H8 +CCOOJ =I-C4H7 +CCOOH 3.170E+003 2.690 55.479 C4H8 +CH3OOJ =CJ*CCC +CH3OOH 2.900E+004 2.690 106.374 C4H8 +CH3OOJ =C*CCCJ +CH3OOH 4.350E+004 2.690 83.116 C4H8 +CH3OOJ =I-C4H7 +CH3OOH 3.170E+003 2.690 55.479 C4H8 +O2 =CJ*CCC +HO2 6.000E+013 0.000 263.350 C4H8 +O2 =C*CJCC +HO2 3.000E+013 0.000 254.181 C4H8 +O2 =I-C4H7 +HO2 6.000E+013 0.000 177.102 C4H8 +CCOOJ =C*CJCC +CCOOH 1.450E+004 2.690 101.333 C4H8 +CCCOOJ =C*CCCJ +CCCOOH 4.350E+004 2.690 83.116 C4H8 +CCCOOJ =C*CJCC +CCCOOH 1.450E+004 2.690 101.333 C4H8 +CCOOJ =CJ*CCC +CCOOH 2.900E+004 2.690 106.374 C4H8 +CCCOOJ =I-C4H7 +CCCOOH 3.170E+003 2.690 55.479 C4H8 +C2COOJ =C*CCCJ +C2COOH 4.350E+004 2.690 83.116 C4H8 +CCCOOJ =CJ*CCC +CCCOOH 2.900E+004 2.690 106.374 C4H8 +C2COOJ =I-C4H7 +C2COOH 3.170E+003 2.690 55.479 C4H8 +C2COOJ =C*CJCC +C2COOH 1.450E+004 2.690 101.333 C4H8 +C2COOJ =CJ*CCC +C2COOH 2.900E+004 2.690 106.374 C4H6-1 +O =C@CCJC +OH 2.190E+008 1.500 11.945 C4H6-1 +OH =C@CCJC +H2O 2.410E+006 2.000 -4.991 C4H6-1 +H =C@CCJC +H2 2.950E+008 1.500 10.877 C4H6-1 +C2H =C@CCJC +C2H2 2.400E+006 2.000 -4.991 C4H6-1 +C2H3 =C@CCJC +C2H4 2.050E+003 2.770 6.155 C4H6-1 +C2H5 =C@CCJC +C2H6 4.220E+003 2.510 31.903 C4H6-1 +CH3 =C@CCJC +CH4 5.260E+005 1.870 27.708 C4H6-1 +HO2 =C@CCJC +H2O2 3.170E+003 2.690 53.578 C4H6-1 +C3CJ =C@CCJC +C3C 1.890E+001 3.120 43.417 C4H6-1 +CCCJC =C@CCJC +C4H10 7.620E+001 2.920 35.881 C4H6-1 +IC3H7 =C@CCJC +C3H8 8.800E+001 2.900 35.253 C4H6-1 +NC3H7 =C@CCJC +C3H8 4.190E+003 2.510 32.238 C4H6-1 +C2CCJ =C@CCJC +C3C 4.580E+003 2.500 35.462 C4H6-1 +CCCCJ =C@CCJC +C4H10 5.860E+003 2.460 33.997 C4H6-1 +CH3OOJ =C@CCJC +CH3OOH 3.170E+003 2.690 57.765 C4H6-1 +O2 =C@CCJC +HO2 6.000E+013 0.000 182.963 C4H6-1 +CCOOJ =C@CCJC +CCOOH 3.170E+003 2.690 57.765 C4H6-1 +CCCOOJ =C@CCJC +CCCOOH 3.170E+003 2.690 57.765 C4H6-1 +C2COOJ =C@CCJC +C2COOH 3.170E+003 2.690 57.765 C4H6-1 =C@CCCJ +H 5.470E+048-10.730 460.586 C4H6-1 =C@CCJC +H 3.090E+066-15.590 462.759 C4H613 +O =C*CC*CJ +OH 6.660E+008 1.500 39.092 C4H613 +H =C*CC*CJ +H2 9.600E+008 1.500 47.947 C4H613 +H =C*CCJ*C +H2 2.950E+008 1.500 35.789 C4H613 +O =C*CCJ*C +OH 2.190E+008 1.500 33.243 C4H613 +OH =C*CC*CJ +H2O 4.810E+006 2.000 12.075 C4H613 +OH =C*CCJ*C +H2O 2.410E+006 2.000 7.536 C4H613 +HO2 =C*CCJ*C +H2O2 3.170E+003 2.690 84.883 C4H613 +HO2 =C*CC*CJ +H2O2 5.800E+004 2.690 102.187 C4H613 +CH3 =C*CCJ*C +CH4 5.260E+005 1.870 51.464 C4H613 +C2H5 =C*CCJ*C +C2H6 4.220E+003 2.510 55.659 C4H613 +C2H5 =C*CC*CJ +C2H6 2.640E+004 2.510 65.616 C4H613 +C2H3 =C*CCJ*C +C2H4 2.050E+003 2.770 29.910 C4H613 +C2H =C*CCJ*C +C2H2 2.400E+006 2.000 -4.991 C4H613 +C2H =C*CC*CJ +C2H2 4.800E+006 2.000 -1.842 C4H613 +CH3 =C*CC*CJ +CH4 3.260E+006 1.870 61.420 C4H613 +C2H3 =C*CC*CJ +C2H4 1.280E+004 2.770 39.867 C4H613 +CCCJC =C*CCJ*C +C4H10 7.620E+001 2.920 59.637 C4H613 +CCCJC =C*CC*CJ +C4H10 4.760E+002 2.920 69.593 C4H613 +CCCCJ =C*CCJ*C +C4H10 5.860E+003 2.460 57.753 C4H613 +CCCCJ =C*CC*CJ +C4H10 3.660E+004 2.460 67.709 C4H613 +NC3H7 =C*CCJ*C +C3H8 4.190E+003 2.510 55.994 C4H613 +NC3H7 =C*CC*CJ +C3H8 2.620E+004 2.510 65.950 C4H613 +IC3H7 =C*CCJ*C +C3H8 8.800E+001 2.900 59.009 C4H613 +IC3H7 =C*CC*CJ +C3H8 5.500E+002 2.900 68.965 C4H613 +C2CCJ =C*CCJ*C +C3C 4.580E+003 2.500 59.218 C4H613 +C2CCJ =C*CC*CJ +C3C 2.860E+004 2.500 69.174 C4H613 +C3CJ =C*CCJ*C +C3C 1.890E+001 3.120 67.173 C4H613 +C3CJ =C*CC*CJ +C3C 1.180E+002 3.120 77.129 C4H613 +C2COOJ =C*CC*CJ +C2COOH 5.800E+004 2.690 106.374 C4H613 +C2COOJ =C*CCJ*C +C2COOH 3.170E+003 2.690 89.070 C4H613 +CCCOOJ =C*CC*CJ +CCCOOH 5.800E+004 2.690 106.374 C4H613 +CCCOOJ =C*CCJ*C +CCCOOH 3.170E+003 2.690 89.070 C4H613 +CCOOJ =C*CC*CJ +CCOOH 5.800E+004 2.690 106.374 C4H613 +CCOOJ =C*CCJ*C +CCOOH 3.170E+003 2.690 89.070 C4H613 +CH3OOJ =C*CCJ*C +CH3OOH 3.170E+003 2.690 89.070 C4H613 +O2 =C*CC*CJ +HO2 1.200E+014 0.000 263.350 C4H613 +O2 =C*CCJ*C +HO2 6.000E+013 0.000 222.738 C4H613 +CH3OOJ =C*CC*CJ +CH3OOH 5.800E+004 2.690 106.374 C4H612 =CC@CCJ +H 1.450E+052-11.310 416.360 C4H612 +H =C@CCJC +H2 2.950E+008 1.500 11.669 C4H612 +H =CC@CCJ +H2 1.470E+008 1.500 8.901 C4H612 +H =C*CCJ*C +H2 4.420E+008 1.500 17.049 C4H612 +O =C@CCJC +OH 2.190E+008 1.500 12.192 C4H612 +O =CC@CCJ +OH 1.100E+008 1.500 11.329 C4H612 +O =C*CCJ*C +OH 3.290E+008 1.500 19.942 C4H612 +OH =C*CCJ*C +H2O 3.610E+006 2.000 -0.837 C4H612 +OH =C@CCJC +H2O 2.410E+006 2.000 -4.991 C4H612 +OH =CC@CCJ +H2O 1.200E+006 2.000 -4.991 C4H612 +C2H5 =C@CCJC +C2H6 4.220E+003 2.510 32.490 C4H612 +C2H5 =CC@CCJ +C2H6 2.110E+003 2.510 30.438 C4H612 +CH3 =C@CCJC +CH4 5.260E+005 1.870 28.294 C4H612 +CH3 =CC@CCJ +CH4 2.630E+005 1.870 26.243 C4H612 +HO2 =C*CCJ*C +H2O2 4.760E+003 2.690 58.732 C4H612 +HO2 =C@CCJC +H2O2 3.170E+003 2.690 54.721 C4H612 +HO2 =CC@CCJ +H2O2 1.590E+003 2.690 50.719 C4H612 +CH3 =C*CCJ*C +CH4 7.890E+005 1.870 34.148 C4H612 +C2H5 =C*CCJ*C +C2H6 6.340E+003 2.510 38.343 C4H612 +C2H3 =CC@CCJ +C2H4 1.030E+003 2.770 4.689 C4H612 +C2H3 =C@CCJC +C2H4 2.050E+003 2.770 6.741 C4H612 +C2H =CC@CCJ +C2H2 1.200E+006 2.000 -4.991 C4H612 +C2H3 =C*CCJ*C +C2H4 3.080E+003 2.770 12.594 C4H612 +C2H =C@CCJC +C2H2 2.400E+006 2.000 -4.991 C4H612 +C2H =C*CCJ*C +C2H2 3.600E+006 2.000 -4.991 C4H612 +C3CJ =C@CCJC +C3C 1.890E+001 3.120 44.003 C4H612 +C2CCJ =C@CCJC +C3C 4.580E+003 2.500 36.048 C4H612 +CCCJC =C@CCJC +C4H10 7.620E+001 2.920 36.467 C4H612 +CCCCJ =C*CCJ*C +C4H10 8.780E+003 2.460 40.436 C4H612 +IC3H7 =C*CCJ*C +C3H8 1.320E+002 2.900 41.692 C4H612 +NC3H7 =C@CCJC +C3H8 4.190E+003 2.510 32.825 C4H612 +NC3H7 =CC@CCJ +C3H8 2.100E+003 2.510 30.773 C4H612 +NC3H7 =C*CCJ*C +C3H8 6.290E+003 2.510 38.678 C4H612 +IC3H7 =CC@CCJ +C3H8 4.400E+001 2.900 33.787 C4H612 +IC3H7 =C@CCJC +C3H8 8.800E+001 2.900 35.839 C4H612 +CCCCJ =CC@CCJ +C4H10 2.930E+003 2.460 32.531 C4H612 +C3CJ =CC@CCJ +C3C 9.440E+000 3.120 41.952 C4H612 +C3CJ =C*CCJ*C +C3C 2.830E+001 3.120 49.856 C4H612 +CCCJC =CC@CCJ +C4H10 3.810E+001 2.920 34.415 C4H612 +CCCJC =C*CCJ*C +C4H10 1.140E+002 2.920 42.3 C4H612 +CCCCJ =C@CCJC +C4H10 5.860E+003 2.460 34.583 C4H612 +C2CCJ =CC@CCJ +C3C 2.290E+003 2.500 33.997 C4H612 +C2CCJ =C*CCJ*C +C3C 6.860E+003 2.500 41.901 C4H612 +CCCOOJ =CC@CCJ +CCCOOH 1.590E+003 2.690 54.906 C4H612 +CCOOJ =CC@CCJ +CCOOH 1.590E+003 2.690 54.906 C4H612 +CH3OOJ =C*CCJ*C +CH3OOH 4.760E+003 2.690 62.919 C4H612 +CH3OOJ =CC@CCJ +CH3OOH 1.590E+003 2.690 54.906 C4H612 +O2 =C*CCJ*C +HO2 9.000E+013 0.000 190.206 C4H612 +O2 =C@CCJC +HO2 6.000E+013 0.000 185.894 C4H612 +O2 =CC@CCJ +HO2 3.000E+013 0.000 175.636 C4H612 +CCOOJ =C@CCJC +CCOOH 3.170E+003 2.690 58.908 C4H612 +CCOOJ =C*CCJ*C +CCOOH 4.760E+003 2.690 62.919 C4H612 +CCCOOJ =C@CCJC +CCCOOH 3.170E+003 2.690 58.908 C4H612 +CCCOOJ =C*CCJ*C +CCCOOH 4.760E+003 2.690 62.919 C4H612 +C2COOJ =CC@CCJ +C2COOH 1.590E+003 2.690 54.906 C4H612 +C2COOJ =C@CCJC +C2COOH 3.170E+003 2.690 58.908 C4H612 +C2COOJ =C*CCJ*C +C2COOH 4.760E+003 2.690 62.919 C4H612 +CH3OOJ =C@CCJC +CH3OOH 3.170E+003 2.690 58.908 C4H4 +C3CJ =H2CCCCH +C3C 9.440E+000 3.120 67.173 C4H4 +C2CCJ =HCCHCCH +C3C 1.430E+004 2.500 69.174 C4H4 +C2CCJ =H2CCCCH +C3C 2.290E+003 2.500 59.218 C4H4 +CCCJC =HCCHCCH +C4H10 2.380E+002 2.920 69.593 C4H4 +CCCCJ =H2CCCCH +C4H10 2.930E+003 2.460 57.753 C4H4 +CCCCJ =HCCHCCH +C4H10 1.830E+004 2.460 67.709 C4H4 +CCCJC =H2CCCCH +C4H10 3.810E+001 2.920 59.637 C4H4 +C3CJ =HCCHCCH +C3C 5.900E+001 3.120 77.129 C4H4 +C2COOJ =H2CCCCH +C2COOH 1.590E+003 2.690 89.070 C4H4 +CCCOOJ =H2CCCCH +CCCOOH 1.590E+003 2.690 89.070 C4H4 +CCCOOJ =HCCHCCH +CCCOOH 2.900E+004 2.690 106.374 C4H4 +CCOOJ =H2CCCCH +CCOOH 1.590E+003 2.690 89.070 C4H4 +CCOOJ =HCCHCCH +CCOOH 2.900E+004 2.690 106.374 C4H4 +CH3OOJ =H2CCCCH +CH3OOH 1.590E+003 2.690 89.070 C4H4 +CH3OOJ =HCCHCCH +CH3OOH 2.900E+004 2.690 106.374 C4H4 +C2COOJ =HCCHCCH +C2COOH 2.900E+004 2.690 106.374 C4H10 =CCCCJ +H 1.000E+065-14.760 506.603 C4H10 =CCCJC +H 6.740E+059-13.360 485.786 C4H10 +H =CCCCJ +H2 1.440E+009 1.500 31.033 C4H10 +O =CCCJC +OH 6.660E+008 1.500 15.973 C4H10 +O =CCCCJ +OH 9.990E+008 1.500 24.292 C4H10 +H =CCCJC +H2 9.600E+008 1.500 23.823 C4H10 +NC3H7 =CCCJC +C3H8 2.620E+004 2.510 41.826 C4H10 +C2H5 =CCCCJ +C2H6 1.980E+004 2.510 48.701 C4H10 +C2H5 =CCCJC +C2H6 1.320E+004 2.510 41.491 C4H10 +HO2 =CCCCJ +H2O2 8.700E+004 2.690 78.930 C4H10 +HO2 =CCCJC +H2O2 5.800E+004 2.690 72.273 C4H10 +OH =CCCCJ +H2O 7.220E+006 2.000 3.617 C4H10 +OH =CCCJC +H2O 4.810E+006 2.000 -1.930 C4H10 +CH3 =CCCCJ +CH4 4.890E+006 1.870 44.506 C4H10 +CH3 =CCCJC +CH4 3.260E+006 1.870 37.296 C4H10 +C2H3 =CCCJC +C2H4 1.280E+004 2.770 15.742 C4H10 +C2H3 =CCCCJ +C2H4 1.930E+004 2.770 22.952 C4H10 +C2H =CCCJC +C2H2 4.800E+006 2.000 -4.991 C4H10 +C2H =CCCCJ +C2H2 7.200E+006 2.000 -4.991 C4H10 +NC3H7 =CCCCJ +C3H8 3.930E+004 2.510 49.036 C4H10 +IC3H7 =CCCJC +C3H8 5.500E+002 2.900 44.841 C4H10 +IC3H7 =CCCCJ +C3H8 8.250E+002 2.900 52.050 C4H10 +CCCCJ =CCCJC +C4H10 3.660E+004 2.460 43.585 C4H10 +CH3OOJ =CCCJC +CH3OOH 5.800E+004 2.690 76.459 C4H10 +O2 =CCCJC +HO2 1.200E+014 0.000 209.968 C4H10 +O2 =CCCCJ +HO2 1.800E+014 0.000 221.063 C4H10 +CH3OOJ =CCCCJ +CH3OOH 8.700E+004 2.690 83.116 C4H10 +CCOOJ =CCCJC +CCOOH 5.800E+004 2.690 76.459 C4H10 +CCOOJ =CCCCJ +CCOOH 8.700E+004 2.690 83.116 C4H10 +CCCOOJ =CCCJC +CCCOOH 5.800E+004 2.690 76.459 C4H10 +CCCOOJ =CCCCJ +CCCOOH 8.700E+004 2.690 83.116 C4H10 +C2COOJ =CCCJC +C2COOH 5.800E+004 2.690 76.459 C4H10 +C2COOJ =CCCCJ +C2COOH 8.700E+004 2.690 83.116 C5H6 +C2COOJ =C5H4H +C2COOH 2.900E+004 2.690 101.308 C5H6 +C2COOJ =C5H5 +C2COOH 3.170E+003 2.690 52.088 C5H6 +CCCOOJ =C5H4H +CCCOOH 2.900E+004 2.690 101.308 C5H6 +CCOOJ =C5H4H +CCOOH 2.900E+004 2.690 101.308 C5H6 +CCOOJ =C5H5 +CCOOH 3.170E+003 2.690 52.088 C5H6 +CH3OOJ =C5H4H +CH3OOH 2.900E+004 2.690 101.308 C5H6 +C3CJ =C5H4H +C3C 5.900E+001 3.120 73.445 C5H6 +C3CJ =C5H5 +C3C 1.890E+001 3.120 39.733 C5H6 +C2CCJ =C5H4H +C3C 1.430E+004 2.500 65.490 C5H6 +C2CCJ =C5H5 +C3C 4.580E+003 2.500 31.778 C5H6 +CCCCJ =C5H4H +C4H10 1.830E+004 2.460 64.025 C5H6 +CCCCJ =C5H5 +C4H10 5.860E+003 2.460 30.312 C5H6 +CCCJC =C5H4H +C4H10 2.380E+002 2.920 65.909 C5H6 +CCCJC =C5H5 +C4H10 7.620E+001 2.920 32.196 C5H6 +CCCOOJ =C5H5 +CCCOOH 3.170E+003 2.690 52.088 C5H6 +CH3OOJ =C5H5 +CH3OOH 3.170E+003 2.690 51.962 C6H6 +CCCCJ =C6H5 +C4H10 5.490E+004 2.460 70.723 C6H6 +CCCJC =C6H5 +C4H10 7.140E+002 2.920 72.607 C6H6 +C2CCJ =C6H5 +C3C 4.290E+004 2.500 72.189 C6H6 +C3CJ =C6H5 +C3C 1.770E+002 3.120 80.144 C6H6 +CH3OOJ =C6H5 +CH3OOH 8.700E+004 2.690 110.519 C6H6 +CCOOJ =C6H5 +CCOOH 8.700E+004 2.690 110.519 C6H6 +CCCOOJ =C6H5 +CCCOOH 8.700E+004 2.690 110.519 C6H6 +C2COOJ =C6H5 +C2COOH 8.700E+004 2.690 110.519 C6H814 +CCOOJ =C6H7 +CCOOH 6.340E+003 2.690 39.720 C6H814 +CH3OOJ =C6H7 +CH3OOH 6.340E+003 2.690 39.720 C6H814 +C3CJ =C6H7 +C3C 3.780E+001 3.120 34.164 C6H814 +C2CCJ =C6H7 +C3C 9.150E+003 2.500 26.209 C6H814 +CCCJC =C6H7 +C4H10 1.520E+002 2.920 26.628 C6H814 +CCCCJ =C6H7 +C4H10 1.170E+004 2.460 24.744 C6H814 +CCCOOJ =C6H7 +CCCOOH 6.340E+003 2.690 39.720 C6H814 +C2COOJ =C6H7 +C2COOH 6.340E+003 2.690 39.720 C6H813 +CCOOJ =C6H7 +CCOOH 6.340E+003 2.690 40.767 C6H813 +CH3OOJ =C6H7 +CH3OOH 6.340E+003 2.690 40.767 C6H813 +C3CJ =C6H7 +C3C 3.780E+001 3.120 34.700 C6H813 +C2CCJ =C6H7 +C3C 9.150E+003 2.500 26.745 C6H813 +CCCJC =C6H7 +C4H10 1.520E+002 2.920 27.164 C6H813 +CCCCJ =C6H7 +C4H10 1.170E+004 2.460 25.280 C6H813 +CCCOOJ =C6H7 +CCCOOH 6.340E+003 2.690 40.767 C6H813 +C2COOJ =C6H7 +C2COOH 6.340E+003 2.690 40.767 C10H8 +C2H =C10H7J1 +C2H2 2.000E+013 0.000 0.000 A2R5 +H =a2r5@ +H2 1.000E+014 0.000 0.000 A2R5 +OH =a2r5@ +H2O 2.100E+013 0.000 19.113 A2R5 +C2H =a2r5@ +C2H2 2.000E+013 0.000 0.000 H +CYC5H9J =CYC5H10 4.000E+013 0.000 0.000 O +I-C4H7 =C4H613 +OH 5.000E+008 1.500 -3.743 OH +C10H8 >C8H6 +HCO +CH2 1.000E+013 0.000 0.000 HO2 +I-C4H7 =C4H613 +H2O2 4.350E+004 2.690 -6.716 CH3 +IC3H7 =C2CCJ +H 1.990E+030 -4.950 112.902 CH3 +IC3H7 =C3CJ +H 9.050E+033 -6.470 109.983 CH3 +C3H6 =C2CCJ 8.880E+052-12.940 91.796 CH3 +C3H6 =C2C*C +H 4.220E+028 -4.950 111.936 CH3 +C3H6 =C3CJ 8.430E+077-20.180 185.068 CH3 +C5H5 =MECY24PD 2.980E+066-15.770 113.416 CH3 +H2CCCH =C@CCCJ +H 6.950E+011 0.350 110.176 CH3 +H2CCCH =C@CCJC +H 6.750E+016 -1.170 78.423 CH3 +C*CJC =C2JC*C +H 2.910E+042 -7.920 127.697 CH3 +C*CJC =C2C*CJ +H 2.000E+021 -2.310 106.294 CH3 +CJ*CC =I-C4H7 +H 3.480E+047 -9.400 147.438 CH3 +CJ*CC =CCJ*CC +H 9.380E+029 -4.760 124.775 CH3 +C5H5 =LONGD021+H 3.360E+027 -3.990 118.968 CH3 +C5H5 =LONGD022+H 3.080E+011 0.450 143.080 CH3 +C3H4P =CC@CC +H 4.350E+024 -3.750 114.325 CH3 +C3H6 =CC*CC +H 3.040E+023 -3.410 119.294 CH3 +O2 =CH3OOJ 4.440E+032 -6.890 21.302 CH3 +I-C4H7 =CH4 +C4H613 2.450E+006 1.870 -4.660 CH3 +C4H613 =C*CCJCC 4.200E+011 0.000 30.773 C2H +C4H4 =H +LONGD002 4.120E+028 -4.350 35.311 C2H3 +CH3 =C*CJC +H 9.970E+020 -2.400 75.405 C2H3 +CH3 =CJ*CC +H 1.000E+021 -2.360 81.044 C2H3 +O2 =C*COOJ 9.030E+019 -3.250 -22.378 C2H3 +O2 =HCJ*CHOJ+OH 1.270E+015 -1.220 13.327 C2H3 +O2 =CJ*COOH 3.620E+034 -8.090 24.602 C2H3 +O2 =CJCYCOO 5.670E+020 -3.440 5.761 C2H3 +O2 =CJOCHO 6.670E+001 1.320 -66.951 C2H3 +C4H613 =LONGD020 2.220E+045 -9.950 87.265 C2H3 +C4H613 =LONGD006+H 1.220E+024 -3.380 88.258 C2H3 +C4H613 =CYC6H9 4.750E+033 -7.230 47.876 C2H3 +C2H2 =C*CCJ*C 2.650E+051-11.960 100.864 C2H3 +C3H6 =C*CC2*C +H 1.460E+018 -1.900 51.213 C2H3 +C3H6 =C*CCCJC 9.060E+028 -5.700 26.168 C2H3 +C3H6 =C*CC*CC +H 2.490E+026 -4.150 76.049 C2H3 +C3H6 =C*CCC*C +H 2.750E+020 -2.540 72.419 C2H3 +C3H6 =C*CCC2J 7.190E+017 -2.690 -5.891 C2H5 +C2H5 =CCCCJ +H 3.420E+028 -4.310 136.129 C2H5 +C2H5 =CCCJC +H 1.490E+027 -4.040 126.943 C2H5 +C2H4 =CC*CC +H 5.610E+049-11.370 170.797 C2H5 +I-C4H7 =C2H4 +C4H8 2.000E+004 2.510 -6.280 C2H5 +I-C4H7 =C2H6 +C4H613 2.000E+004 2.510 -6.280 C2H5 +O2 =CCOOJ 7.700E+049-11.730 56.317 C2H5 +O2 =CJCOOH 4.980E+041 -9.750 55.471 HCJ*CHOJ=H +HCCO 3.060E+037 -7.870 177.185 HCJ*CHOJ=C2H2 +O 4.230E+019 -2.980 229.114 CH2CH2OH=C*COH +H 9.190E+023 -4.340 118.323 CH3CHOH =H +C*COH 1.920E+044 -9.740 204.048 CH3CH2O =C*COH +H 1.050E+021 -4.050 147.137 H2CCCH +C2H4 =C@CCCCJ 1.610E+016 -2.110 23.262 H2CCCH +C2H4 =CYPENE1J 5.560E+011 -1.520 -21.529 IC3H7 +O2 =C2COOJ 2.660E+057-13.760 74.651 IC3H7 +O2 =C2COJ +O 2.840E+015 -0.870 118.997 IC3H7 +O2 =C2JCOOH 8.220E+057-13.870 106.248 IC3H7 +O2 =CH3 +C*COOH 2.310E+028 -4.770 102.803 NC3H7 +O2 =CCCOOJ 1.340E+056-13.370 73.972 NC3H7 +O2 =CCCOJ +O 6.500E+013 -0.390 117.352 NC3H7 +O2 =CCJCOOH 3.210E+055-13.460 91.754 C3H5 +CH3 =I-C4H7 +H 2.350E+021 -2.240 105.798 C3H5 +CH3 =C*CJCC +H 1.940E+024 -3.080 177.558 C3H5 =C*CJC 5.050E+056-13.320 296.733 C3H5 =CJ*CC 5.910E+057-13.760 295.050 C3H5 +C2H2 =C*CCC*CJ 4.880E+012 -1.520 11.073 C3H5 +C2H2 =CYPENE4J 5.380E+059-15.040 117.562 C3H5 +C2H4 =C*CCCCJ 6.990E+010 -0.640 3.102 C3H5 +C2H4 =C*CCC*C +H 1.040E+011 0.380 120.329 C3H5 +C2H4 =CYC5H9J 4.760E+000 1.090 -68.421 C3H5 +C2H4 =CYC5H8 +H 4.440E+011 -0.420 52.075 C3H5 +O2 =C*CCOOJ 5.160E+024 -4.680 -11.468 C3H5 +O2 =C*CCOJ +O 5.920E+050-10.110 341.689 C3H5 +O2 =CYCCJCOO 1.470E+034 -7.500 13.498 C3H5 +O2 =O*CCCOJ 3.490E+019 -3.450 90.560 C3H5 +C2JC*C =C3H4 +C2C*C 8.400E+010 0.000 -1.089 H2CCCH +CH3 =CC@CCJ +H 2.410E+022 -2.490 88.123 H2CCCH +CH3 =CC@CC 1.320E+040 -8.240 44.400 H2CCCH +H2CCCH =ME2CYBE 2.220E+079-20.480 142.744 HCCHCCH +C2H2 =LONGD001+H 1.050E+034 -5.880 128.866 C*CCCJ =CJ*CCC 6.800E+061-15.630 195.155 C*CCCJ =I-C4H7 1.790E+080-20.850 274.207 C*CCCJ =C*CJCC 9.330E+081-21.530 308.613 C*CCCJ +O2 =C*CCCOOJ 6.020E+049-11.660 56.216 C*CCCJ +O2 =C*CCCOJ +O 5.160E+014 -0.650 124.913 C*CCCJ +O2 =CCOJCCHO 1.710E+037 -7.560 51.987 C*CCCJ +O2 =LONGD013 3.630E+059-14.160 93.462 C6H5 =LONGD001+H 7.830E+080-18.430 590.561 C6H5 +C2H4 =C6H5CCJ 9.120E+034 -7.130 50.602 C6H5(L) =LONGD001+H 5.360E+069-15.890 356.267 C6H5CHCH+OH =C8H6 +H2O 2.000E+012 0.000 0.000 CH2O +C2H =HCO +C2H2 2.400E+006 2.000 -4.991 CH3OH +C2H3 =CH3O +C2H4 3.210E+003 2.770 31.007 CH3OH +C2H3 =CH2OH +C2H4 7.290E+003 2.770 19.075 CH3OH +C2H5 =CH3O +C2H6 6.600E+003 2.510 56.756 CH3OH +HO2 =CH3O +H2O2 1.450E+004 2.690 86.365 CH3OH +C2H5 =CH2OH +C2H6 1.500E+004 2.510 44.824 CH3OH +O2 =CH3O +HO2 3.000E+013 0.000 233.456 CH3OH =CH2OH +H 1.560E+047-10.140 440.380 CH3OH =CH3O +H 6.590E+039 -8.510 471.861 CH3OH =CH2 +H2O 7.650E+046 -9.940 431.755 C2H5OH +O2 =CH2CH2OH+HO2 9.000E+013 0.000 221.063 C2H5OH +O2 =CH3CHOH +HO2 6.000E+013 0.000 191.337 C2H5OH +O2 =CH3CH2O +HO2 3.000E+013 0.000 233.456 C2H5OH +IC3H7 =CH2CH2OH+C3H8 4.130E+002 2.900 52.050 C2H5OH +IC3H7 =CH3CHOH +C3H8 1.720E+002 2.900 41.127 C2H5OH +IC3H7 =CH3CH2O +C3H8 1.380E+002 2.900 60.106 C2H5OH +C2H =CH2CH2OH+C2H2 3.600E+006 2.000 -4.991 C2H5OH +C2H =CH3CHOH +C2H2 2.400E+006 2.000 -4.991 C2H5OH +C2H =CH3CH2O +C2H2 1.200E+006 2.000 -4.103 C2H5OH +CH3 =CH2CH2OH+CH4 2.450E+006 1.870 44.506 C2H5OH +CH3 =CH3CH2O +CH4 8.150E+005 1.870 52.561 C2H5OH +C2H3 =CH2CH2OH+C2H4 9.630E+003 2.770 22.952 C2H5OH +C2H3 =CH3CHOH +C2H4 4.020E+003 2.770 12.029 C2H5OH +C2H3 =CH3CH2O +C2H4 3.210E+003 2.770 31.007 C2H5OH +C2H5 =CH2CH2OH+C2H6 1.980E+004 2.510 48.701 C2H5OH +C2H5 =CH3CHOH +C2H6 8.260E+003 2.510 37.777 C2H5OH +C2H5 =CH3CH2O +C2H6 6.600E+003 2.510 56.756 C2H5OH +HO2 =CH2CH2OH+H2O2 4.350E+004 2.690 78.930 C2H5OH +HO2 =CH3CHOH +H2O2 1.480E+004 2.690 65.034 C2H5OH +HO2 =CH3CH2O +H2O2 1.450E+004 2.690 86.365 C2H5OH +OH =CH2CH2OH+H2O 3.610E+006 2.000 3.617 C2H5OH +OH =CH3CHOH +H2O 2.410E+006 2.000 -2.985 C2H5OH +OH =CH3CH2O +H2O 1.200E+006 2.000 9.814 C2H5OH +O =CH2CH2OH+OH 5.000E+008 1.500 24.292 C2H5OH +O =CH3CHOH +OH 2.940E+008 1.500 14.407 C2H5OH +O =CH3CH2O +OH 1.670E+008 1.500 33.587 C2H5OH +H =CH2CH2OH+H2 7.200E+008 1.500 31.033 C2H5OH +H =CH3CH2O +H2 2.400E+008 1.500 39.088 C2H5OH +H =CH3CHOH +H2 4.160E+008 1.500 18.790 C2H5OH +NC3H7 =CH2CH2OH+C3H8 1.970E+004 2.510 49.036 C2H5OH +NC3H7 =CH3CHOH +C3H8 8.200E+003 2.510 38.112 C2H5OH +NC3H7 =CH3CH2O +C3H8 6.550E+003 2.510 57.091 C2H2 +O2 =HCCO +OH 2.000E+008 1.500 126.023 C2H2 +O =CH2 +CO 1.020E+007 2.000 7.955 C2H2 +HO2 =C2H +H2O2 2.900E+004 2.690 158.311 CH2CO +C2H =HCCO +C2H2 2.400E+006 2.000 -4.003 CH2CO +C2H3 =HCCO +C2H4 2.050E+003 2.770 34.843 CH2CO +C2H5 =HCCO +C2H6 4.220E+003 2.510 60.591 CH2CO +CH3 =HCCO +CH4 5.260E+005 1.870 56.396 CH2CO +HO2 =HCCO +H2O2 3.170E+003 2.690 92.390 CH2CO +IC3H7 =HCCO +C3H8 8.800E+001 2.900 63.941 CH2CO +NC3H7 =HCCO +C3H8 4.190E+003 2.510 60.926 CH2CO +O2 =HCCO +HO2 6.000E+013 0.000 238.229 CH2CO +H =CO +CH3 1.130E+013 0.000 14.352 C2H4 +O =C2H3 +OH 6.660E+008 1.500 39.092 C2H4 +C2H =C2H3 +C2H2 4.800E+006 2.000 -1.842 CH3CHO +C2H5 =CH2CHO +C2H6 1.280E+004 2.510 43.053 CH3CHO +O =CH2CHO +OH 4.110E+008 1.500 21.956 CH3CHO +OH =CH2CHO +H2O 3.610E+006 2.000 1.193 CH3CHO +HO2 =CH2CHO +H2O2 2.340E+004 2.690 67.902 CH3CHO +HO2 =CH3CO +H2O2 1.450E+004 2.690 51.066 CH3CHO +C2H5 =CH3CO +C2H6 6.600E+003 2.510 28.437 CH3CHO +H =CH2CHO +H2 5.760E+008 1.500 23.480 CH3CHO +CH3 =CH2CHO +CH4 1.590E+006 1.870 38.858 CH3CHO +C2H3 =CH2CHO +C2H4 6.230E+003 2.770 17.304 CH3CHO +C2H3 =CH3CO +C2H4 3.210E+003 2.770 2.688 CH3CHO +C2H =CH2CHO +C2H2 3.600E+006 2.000 -4.991 CH3CHO +C2H =CH3CO +C2H2 1.200E+006 2.000 -4.991 CH3CHO +IC3H7 =CH3CO +C3H8 1.380E+002 2.900 31.786 CH3CHO +NC3H7 =CH2CHO +C3H8 1.270E+004 2.510 43.388 CH3CHO +NC3H7 =CH3CO +C3H8 6.550E+003 2.510 28.772 CH3CHO +IC3H7 =CH2CHO +C3H8 2.670E+002 2.900 46.402 CH3CHO +O2 =CH2CHO +HO2 9.000E+013 0.000 193.011 CH3CHO +O2 =CH3CO +HO2 3.000E+013 0.000 170.403 C2H6 =C2H5 +H 8.730E+050-11.220 473.896 CH3OCH3 +HO2 =CH3OCH2 +H2O2 5.940E+004 2.690 71.356 CH3OCH3 +C2H5 =CH3OCH2 +C2H6 3.000E+004 2.510 44.824 CH3OCH3 +C2H3 =CH3OCH2 +C2H4 1.460E+004 2.770 19.075 CH3OCH3 +C2H =CH3OCH2 +C2H2 7.200E+006 2.000 -4.991 CH3OCH3 +NC3H7 =CH3OCH2 +C3H8 2.980E+004 2.510 45.159 CH3OCH3 +IC3H7 =CH3OCH2 +C3H8 6.250E+002 2.900 48.173 CH3OCH3 +O2 =CH3OCH2 +HO2 1.800E+014 0.000 201.804 C3H4 +O2 =H2CCCH +HO2 1.200E+014 0.000 182.796 C3H4 +C2H3 =H2CCCH +C2H4 4.110E+003 2.770 11.112 C3H4 +C2H5 =H2CCCH +C2H6 8.450E+003 2.510 36.861 C3H4 +HO2 =H2CCCH +H2O2 6.340E+003 2.690 55.839 C3H4 =C2H +CH3 1.800E+039 -8.290 529.073 C3H4 +H =C3H4P +H 1.740E+024 -3.120 68.325 C3H4 +O =H2CCCH +OH 4.380E+008 1.500 19.318 C3H4 +NC3H7 =H2CCCH +C3H8 8.380E+003 2.510 37.196 C3H4 +IC3H7 =H2CCCH +C3H8 1.760E+002 2.900 40.210 C3H6 +OH =C3H5 +H2O 3.610E+006 2.000 -1.047 C3H6 +H =C3H5 +H2 4.420E+008 1.500 16.488 C3H6 +O =CH2CO +CH3 +H 3.500E+007 1.830 2.286 C3H6 +C2H =C3H5 +C2H2 3.600E+006 2.000 -4.991 CH3COCH3+H =CH3COCH2+H2 1.150E+009 1.500 23.480 CH3COCH3+O =CH3COCH2+OH 8.220E+008 1.500 21.956 CH3COCH3+OH =CH3COCH2+H2O 7.220E+006 2.000 1.193 CH3COCH3+HO2 =CH3COCH2+H2O2 4.680E+004 2.690 67.902 CH3COCH3+C2H5 =CH3COCH2+C2H6 2.560E+004 2.510 43.053 CH3COCH3+CH3 =CH3COCH2+CH4 3.170E+006 1.870 38.858 CH3COCH3+C2H3 =CH3COCH2+C2H4 1.250E+004 2.770 17.304 CH3COCH3+C2H =CH3COCH2+C2H2 7.200E+006 2.000 -4.991 CH3COCH3+NC3H7 =CH3COCH2+C3H8 2.540E+004 2.510 43.388 CH3COCH3+IC3H7 =CH3COCH2+C3H8 5.340E+002 2.900 46.402 CH3COCH3+O2 =CH3COCH2+HO2 1.800E+014 0.000 193.011 C2H5CHO =CH3 +CH2CHO 6.840E+073-17.280 457.919 C3H4P +CH3 =C3H4 +CH3 1.420E+028 -4.350 136.404 C3H4P +O2 =H2CCCH +HO2 9.000E+013 0.000 193.011 C3H4P +IC3H7 =H2CCCH +C3H8 1.320E+002 2.900 42.253 C3H4P +NC3H7 =H2CCCH +C3H8 6.290E+003 2.510 39.239 C3H4P +C2H3 =H2CCCH +C2H4 3.080E+003 2.770 13.155 C3H4P +C2H5 =H2CCCH +C2H6 6.340E+003 2.510 38.904 C3H4P +HO2 =H2CCCH +H2O2 4.760E+003 2.690 59.825 C3H4P +O =H2CCCH +OH 3.290E+008 1.500 20.176 C3H8 =NC3H7 +H 7.910E+060-13.690 493.603 C3H8 +C2H3 =NC3H7 +C2H4 1.930E+004 2.770 22.952 C3H8 +C2H3 =IC3H7 +C2H4 6.420E+003 2.770 15.742 C3H8 +C2H =IC3H7 +C2H2 2.400E+006 2.000 -4.991 C3H8 +C2H =NC3H7 +C2H2 7.200E+006 2.000 -4.991 C3H8 +O2 =NC3H7 +HO2 1.800E+014 0.000 221.063 C3H8 +O2 =IC3H7 +HO2 6.000E+013 0.000 209.968 C4H8 +H =C*CCCJ +H2 7.200E+008 1.500 31.033 C4H8 +O =C*CCCJ +OH 5.000E+008 1.500 24.292 C4H8 =C2H3 +C2H5 1.840E+066-15.260 487.402 C4H8 +OH =C*CCCJ +H2O 3.610E+006 2.000 3.617 C4H8 +C2H5 =C*CCCJ +C2H6 1.980E+004 2.510 48.701 C4H8 +CH3 =C*CCCJ +CH4 2.450E+006 1.870 44.506 C4H8 +HO2 =C*CCCJ +H2O2 4.350E+004 2.690 78.930 C4H8 +C2H3 =C*CCCJ +C2H4 9.630E+003 2.770 22.952 C4H8 +C2H =C*CCCJ +C2H2 3.600E+006 2.000 -4.991 C4H8 +IC3H7 =C*CCCJ +C3H8 4.130E+002 2.900 52.050 C4H8 +NC3H7 =C*CCCJ +C3H8 1.970E+004 2.510 49.036 C4H8 +O2 =C*CCCJ +HO2 9.000E+013 0.000 221.063 C4H4 +O =H2CCCCH +OH 1.100E+008 1.500 33.243 C4H4 +O =HCCHCCH +OH 3.330E+008 1.500 39.092 C4H4 +HO2 =H2CCCCH +H2O2 1.590E+003 2.690 84.883 C4H4 +HO2 =HCCHCCH +H2O2 2.900E+004 2.690 102.187 C4H4 +CH3 =H2CCCCH +CH4 2.630E+005 1.870 51.464 C4H4 +CH3 =HCCHCCH +CH4 1.630E+006 1.870 61.420 C4H4 +C2H5 =H2CCCCH +C2H6 2.110E+003 2.510 55.659 C4H4 +C2H5 =HCCHCCH +C2H6 1.320E+004 2.510 65.616 C4H4 +IC3H7 =H2CCCCH +C3H8 4.400E+001 2.900 59.009 C4H4 +NC3H7 =H2CCCCH +C3H8 2.100E+003 2.510 55.994 C4H4 +NC3H7 =HCCHCCH +C3H8 1.310E+004 2.510 65.950 C4H4 +IC3H7 =HCCHCCH +C3H8 2.750E+002 2.900 68.965 C4H4 +O2 =H2CCCCH +HO2 3.000E+013 0.000 222.738 C4H4 +O2 =HCCHCCH +HO2 6.000E+013 0.000 263.350 C5H6 +O2 =C5H4H +HO2 6.000E+013 0.000 254.139 C5H6 =C5H4H +H 7.850E+061-14.180 525.615 C5H6 +IC3H7 =C5H4H +C3H8 2.750E+002 2.900 65.281 C5H6 +IC3H7 =C5H5 +C3H8 8.800E+001 2.900 31.568 C5H6 +NC3H7 =C5H4H +C3H8 1.310E+004 2.510 62.266 C5H6 +NC3H7 =C5H5 +C3H8 4.190E+003 2.510 28.554 C5H6 +C2H =C5H4H +C2H2 2.400E+006 2.000 -3.684 C5H6 +C2H =C5H5 +C2H2 2.400E+006 2.000 -4.991 C5H6 +C2H3 =C5H4H +C2H4 6.420E+003 2.770 36.182 C5H6 +C2H5 =C5H4H +C2H6 1.320E+004 2.510 61.931 C5H6 +C2H5 =C5H5 +C2H6 4.220E+003 2.510 28.219 C5H6 +HO2 =C5H4H +H2O2 2.900E+004 2.690 97.121 C6H6 =BENZYNE +H2 5.920E+016 -0.430 521.236 C6H6 +HO2 =C6H5 +H2O2 8.700E+004 2.690 106.332 C6H6 +C2H5 =C6H5 +C2H6 3.960E+004 2.510 68.630 C6H6 +C2H3 =C6H5 +C2H4 1.930E+004 2.770 42.881 C6H6 +C2H =C6H5 +C2H2 7.200E+006 2.000 -0.335 C6H6 +NC3H7 =C6H5 +C3H8 3.930E+004 2.510 68.965 C6H6 +IC3H7 =C6H5 +C3H8 8.250E+002 2.900 71.979 C6H814 +O =C6H7 +OH 4.380E+008 1.500 8.060 C6H814 +OH =C6H7 +H2O 4.810E+006 2.000 -4.991 C6H814 +HO2 =C6H7 +H2O2 6.340E+003 2.690 35.533 C6H814 +CH3 =C6H7 +CH4 1.050E+006 1.870 18.455 C6H814 +C2H5 =C6H7 +C2H6 8.450E+003 2.510 22.651 C6H814 +C2H3 =C6H7 +C2H4 4.110E+003 2.770 -3.098 C6H814 +O2 =C6H7 +HO2 1.200E+014 0.000 136.699 C6H814 +IC3H7 =C6H7 +C3H8 1.760E+002 2.900 26.000 C6H814 +NC3H7 =C6H7 +C3H8 8.380E+003 2.510 22.986 C6H814 +C2H =C6H7 +C2H2 4.800E+006 2.000 -4.991 C6H813 +O =C6H7 +OH 4.380E+008 1.500 8.281 C6H813 +OH =C6H7 +H2O 4.810E+006 2.000 -4.991 C6H813 +HO2 =C6H7 +H2O2 6.340E+003 2.690 36.580 C6H813 +CH3 =C6H7 +CH4 1.050E+006 1.870 18.991 C6H813 +C2H5 =C6H7 +C2H6 8.450E+003 2.510 23.186 C6H813 +C2H3 =C6H7 +C2H4 4.110E+003 2.770 -2.562 C6H813 +IC3H7 =C6H7 +C3H8 1.760E+002 2.900 26.536 C6H813 +NC3H7 =C6H7 +C3H8 8.380E+003 2.510 23.521 C6H813 +C2H =C6H7 +C2H2 4.800E+006 2.000 -4.991 C6H813 +H =C6H7 +H2 5.890E+008 1.500 -0.892 H +C4H613 =C4H612 +H 4.420E+031 -4.690 155.221 O +CH2 =H +HCO 8.000E+013 0.000 0.000 O +C3H5 =C3H4 +OH 1.670E+008 1.500 -3.743 OH +C6H6 >CH2O +C2H2 +H2CCCH 1.000E+013 0.000 0.000 OH +A2R5 >C10H8 +HCCO 1.000E+013 0.000 0.000 OH +CH2 =CH +H2O 1.130E+007 2.000 12.560 HO2 +C2H3 =C2H2 +H2O2 2.900E+004 2.690 -6.716 HO2 +C3H5 =C3H4 +H2O2 1.450E+004 2.690 -6.716 C +CH2 =H +C2H 5.000E+013 0.000 0.000 CH +H2 =H +CH2 1.080E+014 0.000 13.021 HCO +HO2 =CO +H2O2 1.450E+004 2.690 -6.716 HCO +H2O =H +CO +H2O 2.240E+018 -1.000 71.176 CH2 +O2 =OH +HCO 1.320E+013 0.000 6.280 CH2 +O2 =CO +H2O 1.900E+010 0.000 -4.187 CH3 +C2H5 =NC3H7 +H 3.160E+024 -3.150 106.859 CH3 +C2H5 =IC3H7 +H 3.110E+023 -3.070 98.602 CH3 +C2H4 =C3H6 +H 5.150E+025 -3.910 102.957 CH3 +C3H5 =C*CCCJ +H 6.130E+016 -0.920 132.408 CH3 +CH2CO =CH3COCH2 1.900E+034 -6.930 69.178 CH3 +C3H4 =C4H6-1 +H 1.220E+025 -3.860 114.283 CH3 +C3H4 =C4H613 +H 8.270E+028 -5.020 140.069 CH3 +C3H4 =C2H3 +C2H4 4.800E+031 -5.600 140.476 CH3 +C3H4P =C4H613 +H 3.370E+035 -6.460 189.779 CH3 +C3H6 =C4H8 +H 2.830E+023 -3.230 124.905 CH3 +O2 =OH +CH2O 3.600E+010 0.000 37.430 CH3O =CH2OH 8.680E+041-10.310 169.105 CH3O =CH2O +H 2.850E+032 -7.040 169.850 CH2OH =CH2O +H 2.070E+034 -7.280 193.748 CH2OH =CH3 +O 5.480E+026 -6.940 420.242 C2H3 +C2H4 =C2H5 +C2H2 4.180E+032 -6.020 74.610 C2H3 +C2H4 =C4H6-1 +H 4.960E+028 -5.040 79.150 C2H3 +C2H4 =C4H612 +H 1.210E+030 -5.220 99.217 C2H3 +CH3 =C3H6 1.220E+042 -8.760 47.515 C2H3 +O2 =CH2CHO +O 2.230E+012 -0.030 0.783 C2H3 +HO2 =OH +CH3 +CO 3.000E+013 0.000 0.000 C2H3 +C4H613 =C6H814 +H 7.960E+028 -5.170 65.134 C2H3 +C4H613 =C6H813 +H 2.520E+029 -5.260 66.143 C2H5 +C2H2 =C4H6-1 +H 3.850E+015 -1.350 105.399 C2H5 +C2H2 =C4H613 +H 4.520E+017 -1.700 94.676 C2H5 +H2CCCH =C2H4 +C3H4 3.000E+012 0.000 0.000 C2H5 +H2CCCH =C2H4 +C3H4P 3.000E+012 0.000 0.000 C2H5 +C2H5 =C4H10 2.400E+041 -8.680 48.803 C2H5 +C2H5 =CH3 +NC3H7 2.630E+025 -3.000 96.878 C2H5 +C2H4 =C4H8 +H 5.590E+029 -5.120 124.408 C2H5 +C2H4 =CH3 +C3H6 2.250E+049-10.660 175.894 C2H5 +CH2OH =CH2O +C2H6 6.600E+003 2.510 -6.280 C2H5 +CH2OH =CH3OH +C2H4 1.980E+004 2.510 -6.280 C2H5 +CH3O =CH2O +C2H6 1.980E+004 2.510 -6.280 C2H5 +CH3O =CH3OH +C2H4 1.980E+004 2.510 -6.280 C2H5 +O2 =CH3CH2O +O 2.470E+016 -1.140 127.593 CH2CH2OH=OH +C2H4 1.770E+033 -6.860 123.511 CH2CH2OH=CH3CHOH 5.460E+017 -2.660 123.205 CH2CH2OH=CH2O +CH3 1.140E+041 -9.700 185.957 CH2CH2OH=CH3CHO +H 6.100E+038 -9.120 183.637 CH3CHOH =CH3CHO +H 1.730E+047-10.570 208.524 CH3CHOH =CH2O +CH3 3.760E+050-11.770 229.998 CH3CHOH =C2H4 +OH 1.560E+043-10.070 237.115 CH3CH2O =CH2O +CH3 1.710E+039 -9.020 92.817 CH3CH2O =CH3CHO +H 5.610E+031 -6.850 95.359 CH3CH2O =CH3CHOH 2.990E+055-14.240 182.716 CH3CH2O =CH2CH2OH 2.080E+049-13.140 171.177 CH3CH2O =C2H4 +OH 8.050E+026 -5.420 152.295 IC3H7 +O2 =OH +CH3COCH3 1.930E+018 -2.220 53.256 NC3H7 +H2CCCH =C3H6 +C3H4P 2.000E+012 0.000 0.000 NC3H7 =IC3H7 1.190E+073-18.670 240.633 NC3H7 +HO2 =C2H5 +OH +CH2O 2.400E+013 0.000 0.000 NC3H7 +O2 =C2H4 +CH2O +OH 8.670E+032 -6.040 114.195 C3H5 +CH3 =C2H3 +C2H5 6.850E+026 -3.450 143.478 C3H5 =C3H4P +H 1.560E+046 -9.860 307.348 C3H5 +H =C3H4 +H2 1.000E+012 0.000 0.000 C3H5 +CH3 =C3H4 +CH4 1.000E+012 0.000 0.000 C3H5 +C3H4 =C3H6 +H2CCCH 2.640E+004 2.510 48.701 C3H5 +H2CCCH =C3H4 +C3H4P 1.000E+012 0.000 0.000 C3H5 +H2CCCH =C3H4 +C3H4 1.000E+012 0.000 0.000 C3H5 +HO2 =CH2CHCHO+H +OH 9.600E+012 0.000 0.000 C3H5 +O2 =CH2CHCHO+OH 2.560E+013 -0.450 96.301 C3H5 +O2 =C3H4 +HO2 4.770E+018 -2.170 110.913 H2CCCH +H2CCCH =BENZYNE +H2 1.090E+032 -6.000 148.071 H2CCCH +H2CCCH =C6H5 +H 3.180E+037 -7.130 146.601 C*CCCJ =C2H5 +C2H2 6.630E+060-14.870 247.625 C*CCCJ =C4H6-1 +H 3.820E+058-14.460 258.373 C*CCCJ =C4H612 +H 1.190E+056-13.540 273.684 C*CCCJ +O2 =C4H613 +HO2 4.380E+040 -8.250 90.138 C*CCCJ +HO2 =OH +C3H5 +CH2O 2.400E+013 0.000 0.000 C6H5(L) =BENZYNE +H 8.110E+083-20.400 364.909 C6H5CHCH+C2H2 =C10H8 +H 5.550E+025 -3.910 54.818 ****** 2009/11/13 ME2CYBE =FULVENE: 3.570E+044-10.190 312.242 ME2CYBE =C6H6F 1.370E+064-14.770 362.556 FULVENE:=C6H6F 1.160E+014 -1.690 16.344 FULVENE:=C6H6 3.510E-042 15.280 7.128 FULVENE:=BENZYNE +H2 4.890E-045 16.630 121.081 FULVENE:=C6H5 +H 1.770E-050 18.540 83.818 C6H6F =BENZYNE +H2 1.110E-012 7.890 398.261 C6H6F =C6H5 +H 1.220E-019 10.220 352.475 C6H6F +C2H3 =CYC5VJ +C2H4 6.420E+003 2.770 39.867 C6H6F +C2H3 =CYC52JV +C2H4 6.420E+003 2.770 36.182 C6H6F +C2H3 =CYC53JV +C2H4 6.420E+003 2.770 36.182 C6H6F +CH3 =CYC5VJ +CH4 1.630E+006 1.870 61.420 C6H6F +CH3 =CYC52JV +CH4 1.630E+006 1.870 57.736 C6H6F +CH3 =CYC53JV +CH4 1.630E+006 1.870 57.736 C6H6F +OH =CYC5VJ +H2O 2.410E+006 2.000 12.075 C6H6F +OH =CYC52JV +H2O 2.410E+006 2.000 10.233 C6H6F +OH =CYC53JV +H2O 2.410E+006 2.000 10.233 C6H6F +O =CYC5VJ +OH 3.330E+008 1.500 39.092 C6H6F +O =CYC52JV +OH 3.330E+008 1.500 35.868 C6H6F +O =CYC53JV +OH 3.330E+008 1.500 35.868 C6H6F +H =CYC5VJ +H2 4.800E+008 1.500 47.947 C6H6F +H =CYC52JV +H2 4.800E+008 1.500 44.263 C6H6F +H =CYC53JV +H2 4.800E+008 1.500 44.263 H2CCCH +H2CCCH =FULVENE: 4.790E+035 -7.960 81.376 H2CCCH +H2CCCH =C6H6F 6.000E+070-17.250 152.613 LONGD021=H +C6H6F 3.720E+028 -4.740 237.304 LONGD022=H +C6H6F 8.800E+032 -6.410 144.424 ****** 09/11/18 CH2CHCHO+OH =CH2CHCO +H2O 1.200E+006 2.000 -4.991 CH2CHCHO+O =CH2CHCO +OH 1.670E+008 1.500 6.443 C2H5CHO +O =C2H5CO +OH 1.670E+008 1.500 6.561 C2H5CHO +OH =C2H5CO +H2O 1.200E+006 2.000 -4.991 C2H5CHO +C2H5 =C2H5CO +C2H6 2.390E+003 2.510 28.437 ********************************************* ****** From paper ****** Furans ********************************************* dmfuran =CO +C*CC*CC 1.000E+015 0.0 334.720 !1070-1370K,Lifshitz,Tamburu,Shashua,1998 dmfuran =C3H4P +C2H4 +CO 1.500E+015 0.0 332.628 !1070-1370K,Lifshitz,Tamburu,Shashua,1998 dmfuran =C3H4 +C2H4 +CO 8.000E+014 0.0 345.180 !1070-1370K,Lifshitz,Tamburu,Shashua,1998 dmfuran +H =C4H613 +CH3CO 3.000E+014 0.0 25.104 !1070-1370K,Lifshitz,Tamburu,Shashua,1998 dmfuran +H =CC@CC +CH3CO 3.000E+013 0.0 62.760 !1070-1370K,Lifshitz,Tamburu,Shashua,1998 dmfuran +H =C4H612 +CH3CO 7.500E+013 0.0 46.024 !1070-1370K,Lifshitz,Tamburu,Shashua,1998 dmfuran +H =C4H6-1 +CH3CO 1.000E+014 0.0 41.840 !1070-1370K,Lifshitz,Tamburu,Shashua,1998 dmfuran +H =CH3 +mfuran 3.000E+014 0.0 25.104 !1070-1370K,Lifshitz,Tamburu,Shashua,1998 dmfuran +H =CJ*CC +C2H4 +CO 2.000E+014 0.0 33.472 !1070-1370K,Lifshitz,Tamburu,Shashua,1998 mfuran =C4H613 +CO 3.500E+015 0.0 332.628 !1100-1400K,Lifshitz,Tamburu,Shashua,1997 mfuran =C4H612 +CO 4.500E+015 0.0 356.058 !1100-1400K,Lifshitz,Tamburu,Shashua,1997 mfuran =C4H6-1 +CO 2.800E+015 0.0 332.628 !1100-1400K,Lifshitz,Tamburu,Shashua,1997 mfuran =C3H4P +CH2CO 5.750E+015 0.0 346.853 !1100-1400K,Lifshitz,Tamburu,Shashua,1997 mfuran =C2H2 +C2H4 +CO 1.700E+015 0.0 332.628 !1100-1400K,Lifshitz,Tamburu,Shashua,1997 mfuran =CH3CO +H2CCCH 4.000E+016 0.0 378.652 !1100-1400K,Lifshitz,Tamburu,Shashua,1997 mfuran =HCO +C*CC*CJ 4.000E+016 0.0 443.504 !1100-1400K,Lifshitz,Tamburu,Shashua,1997 mfuran +H =furan +CH3 5.000E+014 0.0 33.472 !1100-1400K,Lifshitz,Tamburu,Shashua,1997 furan =C3H4P +CO 1.780E+015 0.0 313.800 !1100-1400K,Lifshitz,Tamburu,Shashua,1997 furan =H2CCCH +HCO 4.000E+016 0.0 420.492 !1100-1400K,Lifshitz,Tamburu,Shashua,1997 dhfuran =C2H4 +CH2CO 5.750E+015 0.000 289.868 ! Lifshitz,Bidani,1989 THF =C3H6 +CH2O 8.250E+015 0.000 347.272 ! Lifshitz,Bidani,1986 ********************************************* ****** Aromatics ********************************************* C6H5OH +CH3 =C7H8 +OH 5.420E+14 -0.83 50.626 ! Venkatesh,David,Ronald,2005 C7H8 +HO2 =C7H7 +H2O2 4.000E+11 0.0 120.918 ! Venkatesh,David,Ronald,2005 ********************************************* ****** Ethanol ********************************************* C2H5OH =CH3CHO +H2 1.180E+49 -11.30 401.982 ! 1atm,Park,Zhun,Lin,2002 C2H5OH =C*COH +H2 1.280E+69 -18.07 511.560 ! 1atm,Park,Zhun,Lin,2002 C2H5OH =CH4 +CH2O 2.260E+79 -20.29 530.433 ! 1atm,Park,Zhun,Lin,2002 ********************************************* ****** formic acid ********************************************* HCOOH +OH =CO2 +H2O +H 2.620E+006 2.056 3.833 ! Marinov,1999 HCOOH +OH =CO +H2O +OH 1.850E+007 1.50 -4.025 ! Marinov,1999 HCOOH +H =CO2 +H2 +H 4.240E+006 2.10 20.368 ! Marinov,1999 HCOOH +H =CO +H2 +OH 6.060E+013 -0.35 12.502 ! Marinov,1999 HCOOH +CH3 =CH4 +CO +OH 3.900E-007 5.80 9.205 ! Marinov,1999 HCOOH +HO2 =CO +H2O2 +OH 2.400E+019 -2.20 58.702 ! Marinov,1999 HCOOH +O =CO +OH +OH 1.770E+018 -1.90 -12.447 ! Marinov,1999 CH3CHO +OH =CH3 +HCOOH 3.000E+015 -1.076 0.0 ! Marinov,1999 CH2CHO +OH =CH2CO +H2O 3.000E+013 0.0 0.0 ! Marinov,1999 ********************************************* ****** Toluene ********************************************* C7H7 +O =C6H5 +CH2O 8.000E+013 0.0 0.0 ! Andrae et al,2007 C7H7 +HO2 =C6H5CH2O+OH 2.000E+012 0.0 0.0 ! Andrae et al,2007 C6H5CH2O=C6H5CHO +H 1.300E+014 0.0 4.602 ! Andrae et al,2007 C6H5CH2O=C6H5 +CH2O 4.000E+013 0.0 8.368 ! Andrae et al,2007 C7H7 +O2 =C6H5 +CH2O +O 6.320E+011 0.0 60.668 ! Andrae et al,2007 C7H7 +O2 =C6H5CH2O+O 6.320E+012 0.0 179.577 ! Andrae et al,2007 C6H5CHO +O2 =C6H5CO +HO2 1.020E+013 0.0 162.967 ! Andrae et al,2007 C6H5CHO +H =C6H5CO +H2 5.000E+013 0.0 17.983 ! Andrae et al,2007 C6H5CHO +H =C6H6 +HCO 1.200E+013 0.0 21.539 ! Andrae et al,2007 C7H7 +C6H5CHO =C7H8 +C6H5CO 2.770E+003 2.8 24.154 ! Andrae et al,2007 A1CH2OH +O2 =C6H5CHO +HO2 +H 2.000E+014 0.0 173.218 ! Andrae et al,2007 A1CH2OH +OH =C6H5CHO +H2O +H 8.430E+012 0.0 10.807 ! Andrae et al,2007 A1CH2OH +H =C6H5CHO +H2 +H 8.000E+013 0.0 34.455 ! Andrae et al,2007 A1CH2OH +H =C6H6 +CH2OH 1.200E+013 0.0 21.539 ! Andrae et al,2007 A1CH2OH +C7H7 =C6H5CHO +C7H8 +H 2.110E+011 0.0 39.748 ! Andrae et al,2007 A1CH2OH +C6H5 =C6H5CHO +C6H6 +H 1.400E+012 0.0 18.410 ! Andrae et al,2007 ****** Changed 0427 ****** C7H7 =C2H2 +C5H5 6.000E+013 0.0 292.880 ! Andrae et al,2007 ***** JPCA 2005 Fascella ***** C7H7 >C2H2 +C5H5 4.200E+015 -1.0 81.588 C5H5 +C2H2 =C7H7 3.200E+011 0.0 55.647 CH3 +C6H5CHO =CH4 +C6H5CO 2.770E+003 2.8 24.154 ! Andrae et al,2007 C6H5 +C6H5CHO =C6H6 +C6H5CO 7.010E+011 0.0 18.410 ! Andrae et al,2007 C6H5 =H2CCCCH +C2H2 1.580E+015 0.0 343.088 ! Andrae et al,2007 ********************************************* ***** Bibenzyl ***** ********************************************* C7H7 +C7H7 =BIBENZYL 2.500E+011 0.4 0.0 ! 2004,R.BOUNACEUR, et al. ********************************************* ****** Estimation by RMG ****** Hydroxy Acetone ********************************************* C2H5OH +CO =ACTNOH 5.380E+002 3.290 437.228 !1,2_Insertion exact: Cs_Cs CO_birad O2 +CCOJCOH =HO2 +ACTNOH 4.820E+010 0.000 0.000 !Disproportionation_O2d estimate: O2d C/H/NdNd_Orad ACTNOH +H =CCOJCOH 1.000E+011 0.000 49.790 !R_Addition_MultipleBond estimate: CO/Nd2_O H_rad CCOJCOH =CCJOHCOH 9.307E+008 0.991 152.199 !intra_H_migration estimate: Others-R2H_S O_rad_out Others-Cs_H_out_Cs2 ACTNOH +OH =H2O +C*COJCOH 1.551E+006 2.200 1.000 !H_Abstraction exact: C/H3/CO O_pri_rad H +ACTNOH =H2 +C*COJCOH 2.706E+007 2.013 22.733 !H_Abstraction estimate: H_rad C/H3/CO CH2CO +CH2OH =C*COJCOH 1.515E+011 0.090 37.588 !R_Addition_MultipleBond estimate: Ck_Cd/H2 C_rad/H2/O C*COJCOH=CCOJ*COH 1.081E+009 0.930 134.097 !intra_H_migration estimate: Others-R3H_SS C_rad_out_2H Cs_H_out_H/NonDeO ACTNOH +OH =H2O +CCOJ*COH 1.681E+009 1.000 21.359 !H_Abstraction estimate: C/H2/OneDeO O_pri_rad H +ACTNOH =H2 +CCOJ*COH 1.398E+006 2.360 4.644 !H_Abstraction estimate: H_rad C/H2/OneDeO ACTNOJ =CCOJ*COH 1.861E+009 0.991 152.199 !intra_H_migration estimate: Others-R2H_S O_rad_out Cs_H_out_H/OneDe ACTNOH +OH =H2O +ACTNOJ 1.730E+001 3.400 -4.770 !H_Abstraction exact: O/H/NonDeC O_pri_rad H +ACTNOH =H2 +ACTNOJ 8.700E+008 1.390 42.133 !H_Abstraction exact: H_rad O/H/NonDeC CH3COCH2+O =ACTNOJ 1.000E+013 0.000 0.000 !Oa_R_Recombination estimate: C_rad/H2/CO Oa O2 +CCJOHCOH=HO2 +ACTNOH 2.280E+013 0.000 0.000 !Disproportionation_O2d exact: O2d O_Csrad ACTNOH +H =CCJOHCOH 8.258E+011 0.147 10.593 !R_Addition_MultipleBond estimate: OCO H_rad C*COHC +OH =CCJOHCOH 2.710E+012 0.000 0.000 !R_Addition_MultipleBond estimate: Cd/H2_Cd/Nd2 O_pri_rad CCOJCOH +OH =ACTNOH +H2O 1.210E+013 0.000 0.000 !Disproportionation estimate: C/H/NdNd_Orad O_pri_rad CCJOHCOH+OH =ACTNOH +H2O 2.410E+013 0.000 0.000 !Disproportionation exact: O_pri_rad O_Csrad CCOJCOH +O =ACTNOH +OH 6.030E+012 0.000 0.000 !Disproportionation estimate: C/H/NdNd_Orad O_atom_triplet CCJOHCOH+O =ACTNOH +OH 9.040E+013 0.000 0.000 !Disproportionation exact: O_atom_triplet O_Csrad C*COHC +O =OH +CH3COCH2 1.000E+013 0.000 19.623 !H_Abstraction estimate: O/H/OneDe O_atom_triplet ACTNOH +O =OH +C*COJCOH 2.565E+004 3.050 13.067 !H_Abstraction estimate: C/H3/CO O_atom_triplet ACTNOH +O =OH +CCOJ*COH 9.540E+004 2.710 8.812 !H_Abstraction estimate: C/H2/OneDeO O_atom_triplet OH +ACTNOJ =ACTNOH +O 1.400E+004 2.690 42.711 !H_Abstraction estimate: X_H O_rad/NonDeC H +O =OH 1.000E+013 0.000 0.000 !Oa_R_Recombination estimate: H_rad Oa CH3COCH2+OH =ACTNOH 1.499E+013 -0.150 1.220 !R_Recombination estimate: C_rad/H2/CO O_pri_rad CCOJCOH +H =ACTNOH +H2 9.040E+011 0.000 0.000 !Disproportionation estimate: C/H/NdNd_Orad H_rad CCJOHCOH+H =ACTNOH +H2 2.000E+013 0.000 0.000 !Disproportionation exact: H_rad O_Csrad O2 +H =HO2 8.790E+010 1.000 1.674 !R_Addition_MultipleBond exact: O2d H_rad CH3COCH2+H =CH3COCH3 5.000E+013 0.000 0.000 !R_Recombination estimate: C_rad/H2/CO H_rad CH3COCH2+H =C*COHC 1.499E+013 -0.150 1.220 !R_Recombination estimate: O_rad/OneDe H_rad C*COJCOH+H =ACTNOH 5.000E+013 0.000 0.000 !R_Recombination estimate: C_rad/H2/CO H_rad CCOJ*COH+H =ACTNOH 5.000E+013 0.000 0.000 !R_Recombination estimate: C_rad/H/OneDeO H_rad ACTNOJ +H =ACTNOH 1.499E+013 -0.150 1.220 !R_Recombination estimate: O_rad/NonDe H_rad H +OH =H2O 1.620E+014 0.000 0.628 !R_Recombination exact: H_rad O_pri_rad H +H =H2 1.090E+011 0.000 6.276 !R_Recombination exact: H_rad H_rad CH3COCH2+HO2 =C*COHC +O2 1.750E+010 0.000 -13.703 !Disproportionation estimate: O_rad/OneDe O_Orad HO2 +C*COJCOH=O2 +ACTNOH 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad C_rad/H2/CO HO2 +CCOJ*COH=O2 +ACTNOH 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad C_rad/H/OneDeO HO2 +ACTNOJ =O2 +ACTNOH 1.750E+010 0.000 -13.703 !Disproportionation estimate: O_Orad O_rad/NonDeC OH +O =HO2 1.000E+013 0.000 0.000 !Oa_R_Recombination estimate: O_pri_rad Oa HO2 +CJ*COHC =O2 +C*COHC 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad Cd_pri_rad HO2 +C*COHCJ =O2 +C*COHC 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad C_rad/H2/Cd C*COHC +OH =CJ*COHC +H2O 1.026E+013 0.000 24.853 !H_Abstraction exact: Cd_pri O_pri_rad C*COHC +OH =C*COHCJ +H2O 7.461E+007 1.700 15.246 !H_Abstraction estimate: C/H3/Cd O_pri_rad C*COHC +OH =H2O +CH3COCH2 1.730E+001 3.400 -4.770 !H_Abstraction estimate: O/H/OneDe O_pri_rad CJ*COHC +H2 =C*COHC +H 8.980E+012 0.000 43.095 !H_Abstraction exact: H2 Cd_pri_rad C*COHC +H =C*COHCJ +H2 1.299E+006 2.380 11.715 !H_Abstraction exact: C/H3/Cd H_rad H +C*COHC =H2 +CH3COCH2 1.300E+011 0.820 32.426 !H_Abstraction exact: O/H/OneDe H_rad CJ*COHC +H =C*COHC 1.210E+014 0.000 0.000 !R_Recombination exact: Cd_pri_rad H_rad OH +C*CJC =C*COHC 1.499E+013 -0.150 1.220 !R_Recombination estimate: O_pri_rad Cd_rad/NonDe C*COHCJ +H =C*COHC 5.000E+013 0.000 0.000 !R_Recombination estimate: C_rad/H2/Cd H_rad C*COHC +O =CJ*COHC +OH 7.560E+006 1.910 15.648 !H_Abstraction exact: Cd_pri O_atom_triplet C*COHC +O =C*COHCJ +OH 2.565E+004 3.050 13.067 !H_Abstraction estimate: C/H3/Cd O_atom_triplet C*CJC +O =CH3COCH2 1.000E+013 0.000 0.000 !Oa_R_Recombination estimate: Cd_rad/NonDe Oa CH3CO +C*COJCOH=CH2CO +ACTNOH 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_COrad C_rad/H2/CO CH3CO +CCOJ*COH=CH2CO +ACTNOH 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_COrad C_rad/H/OneDeO CH3CO +ACTNOJ =CH2CO +ACTNOH 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_COrad O_rad/NonDeC CH3CO +H =CH2CO +H2 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_COrad H_rad CH3CO +O =CH2CO +OH 9.030E+013 0.000 0.000 !Disproportionation estimate: Cmethyl_COrad O_atom_triplet CH3CO +CH3COCH2=CH2CO +C*COHC 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_COrad O_rad/OneDe CH3CO +CJ*COHC =CH2CO +C*COHC 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_COrad Cd_pri_rad CH3CO +C*COHCJ =CH2CO +C*COHC 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_COrad C_rad/H2/Cd O2 +CH3CO =HO2 +CH2CO 7.560E+011 0.000 0.000 !Disproportionation_O2d estimate: O2d Cmethyl_COrad CH2CO +OH =O*CJCOH 5.473E+011 0.000 15.100 !R_Addition_MultipleBond estimate: Cd/H2_Ck O_pri_rad CH2CO +H =CH3CO 1.000E+013 0.000 9.763 !R_Addition_MultipleBond estimate: Cd/H2_Ck H_rad CO +CH2OH =O*CJCOH 1.510E+011 0.000 20.125 !R_Addition_COm estimate: COm C_rad/H2/O CH3 +O*CJCOH =ACTNOH 4.200E+013 0.000 0.000 !R_Recombination exact: CO_rad/NonDe C_methyl CH3CO +CH2OH =ACTNOH 2.487E+015 -0.900 1.046 !R_Recombination estimate: CO_rad/NonDe C_rad/H2/O CJ*COHC =C*COHCJ 1.530E+010 0.970 157.737 !intra_H_migration exact: R3H_DS Cd_rad_out_singleH Cs_H_out_2H CH3COCH2=CJ*COHC 1.861E+009 0.991 152.199 !intra_H_migration estimate: R3H_SD O_rad_out Cd_H_out_singleH CH3COCH2=C*COHCJ 1.413E+009 1.450 176.858 !intra_H_migration estimate: R3H_SS_2Cd O_rad_out Cs_H_out_2H CO +H2 =CH2O 5.780E+009 1.160 343.506 !1,2_Insertion exact: CO_birad H2 CH3COCH2+CH2OH =CH3COCH3+CH2O 5.946E+012 0.000 0.000 !Disproportionation estimate: C_rad/H2/CO O_Csrad CH3COCH2+CH2OH =C*COHC +CH2O 1.708E+013 0.000 0.000 !Disproportionation estimate: O_rad/OneDe O_Csrad C*COJCOH+CH2OH =ACTNOH +CH2O 5.946E+012 0.000 0.000 !Disproportionation estimate: C_rad/H2/CO O_Csrad CCOJ*COH+CH2OH =ACTNOH +CH2O 2.350E+012 0.000 0.000 !Disproportionation estimate: C_rad/H/OneDeO O_Csrad ACTNOJ +CH2OH =ACTNOH +CH2O 2.410E+013 0.000 0.000 !Disproportionation exact: O_Csrad O_rad/NonDeC CJ*COHC +CH2OH =C*COHC +CH2O 3.010E+013 0.000 0.000 !Disproportionation exact: O_Csrad Cd_pri_rad C*COHCJ +CH2OH =C*COHC +CH2O 1.810E+013 0.000 0.000 !Disproportionation exact: O_Csrad C_rad/H2/Cd CH3CO +CH2O =ACTNOJ 5.200E+011 0.000 27.447 !R_Addition_MultipleBond estimate: CO_rad/NonDe CO/H2_O O2 +CCOJ*COH=HO2 +CH3COCHO 2.280E+013 0.000 0.000 !Disproportionation_O2d exact: O2d O_Csrad O2 +ACTNOJ =HO2 +CH3COCHO 3.616E+011 0.000 0.000 !Disproportionation_O2d estimate: O2d C/H2/De_Orad OH +CCOJ*COH=H2O +CH3COCHO 2.410E+013 0.000 0.000 !Disproportionation exact: O_Csrad O_pri_rad OH +ACTNOJ =H2O +CH3COCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: O_pri_rad C/H2/De_Orad H +CCOJ*COH=H2 +CH3COCHO 2.000E+013 0.000 0.000 !Disproportionation exact: O_Csrad H_rad H +ACTNOJ =H2 +CH3COCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: H_rad C/H2/De_Orad O +CCOJ*COH=OH +CH3COCHO 9.040E+013 0.000 0.000 !Disproportionation exact: O_Csrad O_atom_triplet O +ACTNOJ =OH +CH3COCHO 3.620E+012 0.000 0.000 !Disproportionation estimate: O_atom_triplet C/H2/De_Orad CH3COCHO+H =CCOJ*COH 8.258E+011 0.147 10.597 !R_Addition_MultipleBond estimate: OCO H_rad CH3COCHO+H =ACTNOJ 1.000E+011 0.000 49.790 !R_Addition_MultipleBond estimate: CO/H/De_O H_rad CH3 +CCOJCOH =CH4 +ACTNOH 1.228E+013 -0.355 -0.045 !Disproportionation estimate: C_methyl C/H/NdNd_Orad CH3 +CCOJ*COH=CH4 +CH3COCHO 8.490E+013 0.000 0.000 !Disproportionation exact: O_Csrad C_methyl CH3 +ACTNOJ =CH4 +CH3COCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: C_methyl C/H2/De_Orad CH3 +CCJOHCOH=CH4 +ACTNOH 8.490E+013 0.000 0.000 !Disproportionation exact: O_Csrad C_methyl ACTNOH +CH3 =C*COJCOH+CH4 2.962E+005 2.142 51.906 !H_Abstraction estimate: C/H3/CO C_methyl ACTNOH +CH3 =CCOJ*COH+CH4 4.000E+011 0.000 39.748 !H_Abstraction estimate: C/H2/OneDeO C_methyl C*COHC +CH3 =C*COHCJ +CH4 2.412E+002 2.920 29.957 !H_Abstraction exact: C/H3/Cd C_methyl C*COHC +CH3 =CH4 +CH3COCH2 9.070E+004 2.040 45.396 !H_Abstraction exact: C_methyl O/H/OneDe CJ*COHC +CH4 =C*COHC +CH3 6.360E+014 0.000 57.321 !H_Abstraction exact: C_methane Cd_pri_rad CH3OOH +O =OH +CH3OOJ 1.000E+013 0.000 19.623 !H_Abstraction estimate: O/H/NonDeO O_atom_triplet CJ*COHC +CH3OOH =C*COHC +CH3OOJ 1.440E+001 3.100 29.037 !H_Abstraction estimate: Cd_pri_rad O/H/NonDeO C*COHCJ +CH3OOH =C*COHC +CH3OOJ 1.487E+003 2.386 40.543 !H_Abstraction estimate: C_rad/H2/Cd O/H/NonDeO CH3O +CH3COCH2=CH2O +CH3COCH3 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_Orad C_rad/H2/CO CH3O +CH3COCH2=CH2O +C*COHC 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_Orad O_rad/OneDe CH3O +C*COJCOH=CH2O +ACTNOH 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_Orad C_rad/H2/CO CH3O +CCOJ*COH=CH2O +ACTNOH 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_Orad C_rad/H/OneDeO CH3O +ACTNOJ =CH2O +ACTNOH 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_Orad O_rad/NonDeC CH3O +CJ*COHC =CH2O +C*COHC 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_Orad Cd_pri_rad CH3O +C*COHCJ =CH2O +C*COHC 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_Orad C_rad/H2/Cd CH3O +CH3OOJ =CH2O +CH3OOH 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_Orad O_rad/NonDeO OH +OH =H2O2 1.570E+013 0.000 0.000 !R_Recombination exact: O_pri_rad O_pri_rad HO2 +CCOJCOH =H2O2 +ACTNOH 1.210E+013 0.000 0.000 !Disproportionation estimate: O_rad/NonDeO C/H/NdNd_Orad HO2 +CCOJ*COH=H2O2 +CH3COCHO 1.210E+013 0.000 0.000 !Disproportionation exact: O_Csrad O_rad/NonDeO HO2 +ACTNOJ =H2O2 +CH3COCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: O_rad/NonDeO C/H2/De_Orad HO2 +CCJOHCOH=H2O2 +ACTNOH 1.210E+013 0.000 0.000 !Disproportionation exact: O_Csrad O_rad/NonDeO H +HO2 =H2O2 1.499E+013 -0.150 1.220 !R_Recombination estimate: H_rad O_rad/NonDe HO2 +CH3CO =H2O2 +CH2CO 5.115E+013 -0.173 -0.008 !Disproportionation estimate: O_rad/NonDeO Cmethyl_COrad H2O2 +CH3COCH2=C*COHC +HO2 3.460E+001 3.400 -4.770 !H_Abstraction estimate: O/H/NonDeO O_rad/OneDe C*COJCOH+H2O2 =ACTNOH +HO2 2.973E+003 2.386 40.543 !H_Abstraction estimate: C_rad/H2/CO O/H/NonDeO CCOJ*COH+H2O2 =ACTNOH +HO2 2.973E+003 2.386 40.543 !H_Abstraction estimate: C_rad/H/OneDeO O/H/NonDeO ACTNOJ +H2O2 =ACTNOH +HO2 3.460E+001 3.400 -4.770 !H_Abstraction estimate: O_rad/NonDeC O/H/NonDeO CJ*COHC +H2O2 =C*COHC +HO2 2.880E+001 3.100 29.037 !H_Abstraction estimate: Cd_pri_rad O/H/NonDeO C*COHCJ +H2O2 =C*COHC +HO2 2.973E+003 2.386 40.543 !H_Abstraction estimate: C_rad/H2/Cd O/H/NonDeO CO +H =HCO 1.180E+011 0.000 11.380 !R_Addition_COm exact: COm H_rad CH2O +CH3COCH2=HCO +CH3COCH3 5.500E+003 2.810 24.518 !H_Abstraction estimate: CO_pri C_rad/H2/CO CH2O +CH3COCH2=HCO +C*COHC 6.483E+007 1.250 27.593 !H_Abstraction estimate: CO_pri O_rad/OneDe CH2O +C*COJCOH=HCO +ACTNOH 5.500E+003 2.810 24.518 !H_Abstraction estimate: CO_pri C_rad/H2/CO CH2O +CCOJ*COH=HCO +ACTNOH 1.080E+011 0.000 29.121 !H_Abstraction estimate: CO_pri C_rad/H/OneDeO CH2O +ACTNOJ =HCO +ACTNOH 1.020E+011 0.000 12.468 !H_Abstraction exact: O_rad/NonDeC CO_pri CH2O +CJ*COHC =HCO +C*COHC 5.420E+003 2.810 24.518 !H_Abstraction exact: Cd_pri_rad CO_pri CH2O +C*COHCJ =HCO +C*COHC 5.500E+003 2.810 24.518 !H_Abstraction estimate: CO_pri C_rad/H2/Cd CCOJCOH +HCO =ACTNOH +CH2O 3.262E+012 -0.089 -0.011 !Disproportionation estimate: C/H/NdNd_Orad CO_pri_rad CCOJ*COH+HCO =CH3COCHO+CH2O 1.810E+014 0.000 0.000 !Disproportionation exact: CO_pri_rad O_Csrad ACTNOJ +HCO =CH3COCHO+CH2O 1.140E+013 -0.071 -0.009 !Disproportionation estimate: C/H2/De_Orad CO_pri_rad CCJOHCOH+HCO =ACTNOH +CH2O 1.810E+014 0.000 0.000 !Disproportionation exact: CO_pri_rad O_Csrad CH3CO +HCO =CH2CO +CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_COrad CO_pri_rad CH3O +HCO =CH2O +CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cmethyl_Orad CO_pri_rad HCO +CH3COCH2=CO +CH3COCH3 5.710E+009 0.864 117.920 !H_Abstraction estimate: X_H C_rad/H2/CO HCO +CH3COCH2=CO +C*COHC 1.400E+004 2.690 -135.183 !H_Abstraction estimate: X_H O_rad/OneDe HCO +C*COJCOH=CO +ACTNOH 5.710E+009 0.864 117.920 !H_Abstraction estimate: X_H C_rad/H2/CO HCO +CCOJ*COH=CO +ACTNOH 5.710E+009 0.864 117.920 !H_Abstraction estimate: X_H C_rad/H/OneDeO HCO +ACTNOJ =CO +ACTNOH 1.400E+004 2.690 -175.622 !H_Abstraction estimate: X_H O_rad/NonDeC HCO +CJ*COHC =CO +C*COHC 5.710E+009 0.864 117.920 !H_Abstraction estimate: X_H Cd_pri_rad HCO +C*COHCJ =CO +C*COHC 5.710E+009 0.864 117.920 !H_Abstraction estimate: X_H C_rad/H2/Cd HCO +CH3OOJ =CO +CH3OOH 1.400E+004 2.690 -135.711 !H_Abstraction estimate: X_H O_rad/NonDeO CH3CO +HCO =CH3COCHO 1.810E+013 0.000 0.000 !R_Recombination exact: CO_pri_rad CO_rad/NonDe ********************************************* ****** Estimation by RMG ****** hexenal ********************************************* C*CCCC +CO =hexenal 8.083E+007 1.701 346.331 !1,2_Insertion estimate: Cd_pri CO_birad CH3 +ptenalJ5=hexenal 3.370E+013 0.000 0.000 !R_Recombination exact: C_rad/H2/Cs C_methyl NC3H7 +CHCHCHO =hexenal 2.487E+015 -0.900 1.460 !R_Recombination estimate: C_rad/H2/Cs Cd_pri_rad CJ*CCCC +HCO =hexenal 1.810E+013 0.000 0.000 !R_Recombination exact: CO_pri_rad Cd_pri_rad C2H4 +CHCHCHO =ptenalJ5 2.000E+011 0.000 8.410 !R_Addition_MultipleBond exact: Cd/H2_Cd/H2 Cd_pri_rad NC3H7 +C2H2 =CJ*CCCC 5.010E+010 0.000 29.246 !R_Addition_MultipleBond exact: Ct/H_Ct/H C_rad/H2/Cs HO2 +CJ*CCCC =O2 +C*CCCC 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad Cd_pri_rad CJ*CCCC +H =C*CCCC 1.210E+014 0.000 0.000 !R_Recombination exact: Cd_pri_rad H_rad C*CCCC +OH =CJ*CCCC +H2O 1.026E+013 0.000 24.853 !H_Abstraction exact: Cd_pri O_pri_rad CJ*CCCC +H2 =C*CCCC +H 8.980E+012 0.000 43.095 !H_Abstraction exact: H2 Cd_pri_rad HCO +CJ*CCCC =CO +C*CCCC 5.710E+009 0.864 117.920 !H_Abstraction estimate: X_H Cd_pri_rad CJ*CCCC +C2H5 =C*CCCC +C2H4 4.560E+014 -0.700 0.000 !Disproportionation exact: Cmethyl_Csrad Cd_pri_rad CO +C2H4 =CH2CHCHO 1.617E+008 1.701 246.331 !1,2_Insertion estimate: CO_birad Cd_pri C*CCCC +HCO =hxanalJ3 5.200E+011 0.000 27.447 !R_Addition_MultipleBond estimate: Cd/H2_Cd/H/Nd CO_pri_rad NC3H7 +CH2CHCHO=C4H5VOJ 1.990E+003 2.440 22.468 !R_Addition_MultipleBond estimate: C_rad/H2/Cs Cd/H2_Cd/H/De O2 +C4H5VOJ =HO2 +hexenal 3.616E+011 0.000 0.000 !Disproportionation_O2d exact: O2d C/H2/Nd_Csrad hexenal +H =C4H5VOJ 1.000E+013 0.000 12.134 !R_Addition_MultipleBond estimate: Cd/H/Nd_Cd/H/De H_rad hxanalJ3=C4H5VOJ 1.682E+010 0.350 125.102 !intra_H_migration exact: Others-R2H_S C_rad_out_H/NonDeC Cs_H_out_H/OneDe O2 +hxanalJ3=HO2 +hexenal 3.616E+011 0.000 0.000 !Disproportionation_O2d estimate: O2d C/H2/De_Csrad hexenal +H =hxanalJ3 2.850E+013 0.000 17.991 !R_Addition_MultipleBond estimate: Cd/H/De_Cd/H/Nd H_rad C4H5VOJ +OH =hexenal +H2O 4.820E+013 0.000 0.000 !Disproportionation exact: O_pri_rad C/H2/Nd_Csrad hxanalJ3+OH =hexenal +H2O 1.140E+013 -0.071 -0.009 !Disproportionation estimate: C/H2/De_Csrad O_pri_rad C4H5VOJ +H =hexenal +H2 3.620E+012 0.000 0.000 !Disproportionation exact: H_rad C/H2/Nd_Csrad hxanalJ3+H =hexenal +H2 1.140E+013 -0.071 -0.009 !Disproportionation estimate: C/H2/De_Csrad H_rad CH3 +C4H5VOJ =CH4 +hexenal 2.300E+013 -0.320 0.000 !Disproportionation exact: C/H2/Nd_Csrad C_methyl CH3 +hxanalJ3=CH4 +hexenal 1.140E+013 -0.071 -0.009 !Disproportionation estimate: C_methyl C/H2/De_Csrad HO2 +hxanalJ3=H2O2 +hexenal 1.140E+013 -0.071 -0.009 !Disproportionation estimate: O_rad/NonDeO C/H2/De_Csrad C2H5 +hxanalJ3=C2H6 +hexenal 1.140E+013 -0.071 -0.009 !Disproportionation estimate: C_rad/H2/Cs C/H2/De_Csrad HO2 +C4H5VOJ =H2O2 +hexenal 4.820E+013 0.000 0.000 !Disproportionation estimate: O_rad/NonDeO C/H2/Nd_Csrad C2H5 +C4H5VOJ =C2H6 +hexenal 2.900E+012 0.000 0.000 !Disproportionation exact: C/H2/Nd_Csrad C_rad/H2/Cs C4H5VOJ +O =hexenal +OH 3.620E+012 0.000 0.000 !Disproportionation estimate: C/H2/Nd_Csrad O_atom_triplet OH +CHCHCHO =CH2CHCHO+O 5.710E+009 0.864 117.920 !H_Abstraction estimate: X_H Cd_pri_rad CHCHCHO +HO2 =CH2CHCHO+O2 3.000E+011 0.000 0.000 !Disproportionation estimate: Cd_pri_rad O_Orad CHCHCHO +C2H5 =CH2CHCHO+C2H4 4.560E+014 -0.700 0.000 !Disproportionation exact: Cmethyl_Csrad Cd_pri_rad HCO +CHCHCHO =CO +CH2CHCHO 5.710E+009 0.864 117.920 !H_Abstraction estimate: X_H Cd_pri_rad CHCHCHO +H2O2 =CH2CHCHO+HO2 2.880E+001 3.100 29.037 !H_Abstraction estimate: Cd_pri_rad O/H/NonDeO CJ*CCCC +H2O2 =C*CCCC +HO2 2.880E+001 3.100 29.037 !H_Abstraction estimate: Cd_pri_rad O/H/NonDeO ********************************************* ***** Estimation by RMG ***** C6H4OHOH ********************************************* C6H4OHOH+OH =H2O +C6H4OHOJ 3.460E+001 3.400 -4.770 !H_Abstraction estimate: O/H/OneDe O_pri_rad C6H4OH +OH =C6H4OHOH 1.499E+013 -0.150 1.220 !R_Recombination estimate: Cb_rad O_pri_rad C6H4OH +O =C6H4OHOJ 1.000E+013 0.000 0.000 !Oa_R_Recombination estimate: Cb_rad Oa HO2 +C6H4OHOJ=O2 +C6H4OHOH 1.750E+010 0.000 -13.703 !Disproportionation estimate: O_Orad O_rad/OneDe C6H4OHOJ+H =C6H4OHOH 1.499E+013 -0.150 1.220 !R_Recombination estimate: O_rad/OneDe H_rad OH +C6H4OHOJ=C6H4OHOH+O 1.400E+004 2.690 42.711 !H_Abstraction estimate: X_H O_rad/OneDe ********************************************* ***** Estimation by RMG ***** CC(OC)2 ********************************************* CH3 +COCJOC =CC(OC)2 6.800E+014 -0.680 0.000 !R_Recombination estimate: C_methyl C_rad/H/O2 COCHO +CH3 =COCJOC 8.258E+011 0.147 10.597 !R_Addition_MultipleBond estimate: OCO C_methyl CCOJOC +CH3 =CC(OC)2 1.210E+013 0.000 0.000 !R_Recombination exact: O_rad/NonDe C_methyl CH3 +COCHO =CCOJOC 3.160E+010 0.000 48.158 !R_Addition_MultipleBond estimate: C_methyl CO/H/Nd_O CH3CHO +CH3O =CCOJOC 5.473E+011 0.000 15.100 !R_Addition_MultipleBond estimate: CO/H/Nd_O O_rad/NonDe CH3CHO +CH3 =CCJOC 8.258E+011 0.147 10.597 !R_Addition_MultipleBond estimate: OCO C_methyl CCJOC +CH2O =CC(OC)2J 8.258E+011 0.147 10.597 !R_Addition_MultipleBond estimate: C_rad/H/NonDeC OCO CCJOC +CH3O =CC(OC)2 6.030E+012 0.000 0.000 !R_Recombination exact: O_rad/NonDe C_rad/H/NonDeC HO2 +CC(OC)2J=O2 +CC(OC)2 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad C_rad/H2/O CC(OC)2 +OH =H2O +CC(OC)2J 4.884E+004 2.800 -1.757 !H_Abstraction exact: C/H3/O O_pri_rad CC(OC)2J+H =CC(OC)2 5.000E+013 0.000 0.000 !R_Recombination estimate: C_rad/H2/O H_rad CC(OC)2J+CH3O =CC(OC)2 +CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: C_rad/H2/O Cmethyl_Orad ********************************************* ***** Estimation by RMG ***** COCHO ********************************************* COCOJ +CH3 =COCHO +CH4 3.783E+013 -0.355 -0.045 !Disproportionation estimate: C/H2/Nd_Orad C_methyl COCJOH +CH3 =COCHO +CH4 8.490E+013 0.000 0.000 !Disproportionation exact: C_methyl O_Csrad CH4 +CO2 =COCHO 4.096E+007 1.868 316.938 !1,3_Insertion_CO2 estimate: C_methane CO2_Od HC*O(OJ)+CJOCHO =CO2 +COCHO 7.470E+012 0.050 -0.238 !Disproportionation estimate: COpri_Orad C_rad/H2/O HC*O(OJ)+COCJ*O =CO2 +COCHO 7.470E+012 0.050 -0.238 !Disproportionation estimate: COpri_Orad CO_rad/NonDe HC*O(OJ)+OH =CO2 +H2O 7.470E+012 0.050 -0.238 !Disproportionation estimate: COpri_Orad O_pri_rad HC*O(OJ)+CH3 =CO2 +CH4 7.470E+012 0.050 -0.238 !Disproportionation estimate: COpri_Orad C_methyl O2 +COCOJ =HO2 +COCHO 3.616E+011 0.000 0.000 !Disproportionation_O2d estimate: O2d C/H2/Nd_Orad COCHO +H =COCOJ 1.000E+011 0.000 49.790 !R_Addition_MultipleBond estimate: CO/H/Nd_O H_rad COCOJ =COCJOH 1.861E+009 0.991 152.199 !intra_H_migration estimate: Others-R2H_S O_rad_out Cs_H_out_H/NonDeO COCOJ +CJOCHO =COCHO +COCHO 3.783E+013 -0.355 -0.045 !Disproportionation estimate: C/H2/Nd_Orad C_rad/H2/O COCHO +CJOCHO =COCJ*O +COCHO 3.800E+011 0.000 30.167 !H_Abstraction estimate: CO/H/NonDe C_rad/H2/O COCHO +OH =H2O +CJOCHO 2.442E+004 2.800 -1.757 !H_Abstraction exact: C/H3/O O_pri_rad CH3 +COCHO =CH4 +CJOCHO 6.150E-004 4.900 28.116 !H_Abstraction exact: C/H3/O C_methyl CJOCHO =COCJ*O 9.307E+008 0.991 152.199 !intra_H_migration estimate: Others-R3H_SS C_rad_out_2H CO_H_out COCOJ +COCJ*O =COCHO +COCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: C/H2/Nd_Orad CO_rad/NonDe COCHO +OH =H2O +COCJ*O 2.000E+006 1.800 5.439 !H_Abstraction exact: CO/H/NonDe O_pri_rad CH3 +COCHO =CH4 +COCJ*O 2.920E+004 2.290 22.761 !H_Abstraction exact: CO/H/NonDe C_methyl CH3 +CO2 =COCJ*O 1.652E+012 0.147 10.597 !R_Addition_MultipleBond estimate: C_methyl OCddO COCJOH +CJOCHO =COCHO +COCHO 4.820E+012 0.000 0.000 !Disproportionation exact: C_rad/H2/O O_Csrad COCJOH +COCJ*O =COCHO +COCHO 1.810E+014 0.000 0.000 !Disproportionation estimate: O_Csrad CO_rad/NonDe O2 +COCJOH =HO2 +COCHO 2.280E+013 0.000 0.000 !Disproportionation_O2d exact: O2d O_Csrad COCHO +H =COCJOH 8.258E+011 0.147 10.597 !R_Addition_MultipleBond estimate: OCO H_rad COCOJ +OH =COCHO +H2O 4.820E+013 0.000 0.000 !Disproportionation estimate: C/H2/Nd_Orad O_pri_rad COCJOH +OH =COCHO +H2O 2.410E+013 0.000 0.000 !Disproportionation exact: O_pri_rad O_Csrad HO2 +CJOCHO =O2 +COCHO 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad C_rad/H2/O HO2 +COCJ*O =O2 +COCHO 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad CO_rad/NonDe O2 +HC*O(OJ)=HO2 +CO2 6.557E+011 0.000 11.339 !Disproportionation_O2d estimate: O2d COpri_Orad CH3 +HC*O(OJ)=COCHO 1.499E+013 -0.150 1.220 !R_Recombination estimate: C_methyl O_rad/OneDe CJOCHO +H =COCHO 5.000E+013 0.000 0.000 !R_Recombination estimate: C_rad/H2/O H_rad COCJ*O +H =COCHO 5.000E+013 0.000 0.000 !R_Recombination estimate: CO_rad/NonDe H_rad CH3O +HCO =COCHO 1.499E+013 -0.150 1.220 !R_Recombination estimate: O_rad/NonDe CO_pri_rad CJOCHO +CH3O =COCHO +CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: C_rad/H2/O Cmethyl_Orad COCJ*O +CH3O =COCHO +CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: CO_rad/NonDe Cmethyl_Orad HCO +COCOJ =CH2O +COCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: CO_pri_rad C/H2/Nd_Orad HCO +COCJOH =CH2O +COCHO 1.810E+014 0.000 0.000 !Disproportionation exact: O_Csrad CO_pri_rad HCO +HC*O(OJ)=CH2O +CO2 7.470E+012 0.050 -0.238 !Disproportionation estimate: CO_pri_rad COpri_Orad CJOCHO +CH2O =COCHO +HCO 5.500E+003 2.810 24.518 !H_Abstraction estimate: C_rad/H2/O CO_pri COCJ*O +CH2O =COCHO +HCO 1.810E+011 0.000 54.057 !H_Abstraction exact: CO_pri CO_rad/NonDe CH3O +CH2O =COCOJ 5.473E+011 0.000 15.100 !R_Addition_MultipleBond estimate: O_rad/NonDe CO/H2_O CH2O +HCO =CJOCHO 8.258E+011 0.147 10.597 !R_Addition_MultipleBond estimate: OCO CO_pri_rad HCO +CJOCHO =CO +COCHO 5.710E+009 0.864 117.920 !H_Abstraction estimate: X_H C_rad/H2/O HCO +COCJ*O =CO +COCHO 5.710E+009 0.864 117.920 !H_Abstraction estimate: X_H CO_rad/NonDe CH3O +CO =COCJ*O 3.410E+007 0.000 12.552 !R_Addition_COm exact: COm O_rad/NonDe ********************************************* ***** Estimation by RMG ***** C7H8O ********************************************* HO2 +C6H4OH =O2 +C6H5OH 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad Cb_rad HO2 +C6H4CH3 =O2 +C7H8 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad Cb_rad C6H4OH +H =C6H5OH 2.200E+014 0.000 0.000 !R_Recombination exact: H_rad Cb_rad C6H4CH3 +H =C7H8 2.200E+014 0.000 0.000 !R_Recombination exact: H_rad Cb_rad C7H8 +OH =H2O +C6H4CH3 5.440E+007 1.420 6.067 !H_Abstraction exact: Cb_H O_pri_rad C6H4CH3 +OH =C7H8O 1.499E+013 -0.150 1.220 !R_Recombination estimate: Cb_rad O_pri_rad ********************************************* ***** Estimation by RMG ***** C3H5OH ********************************************* C2H3 +CH2OH =C3H5OH 2.487E+015 -0.900 1.046 !R_Recombination estimate: Cd_pri_rad C_rad/H2/O C3H5 +OH =C3H5OH 1.499E+013 -0.150 1.220 !R_Recombination estimate: C_rad/H2/Cd O_pri_rad C3H6 +OH =CCJCOH 2.710E+012 0.000 0.000 !R_Addition_MultipleBond estimate: Cd/H2_Cd/H/Nd O_pri_rad C2H2 +CH2OH =CJ*CCOH 3.998E+010 0.000 29.183 !R_Addition_MultipleBond estimate: Ct/H_Ct/H C_rad/H2/O C3H4 +OH =C*CJCOH 1.095E+012 0.000 15.100 !R_Addition_MultipleBond estimate: Cd/H2_Ca O_pri_rad C2H3 +CH2O =C*CCOJ 4.496E+009 0.633 12.022 !R_Addition_MultipleBond estimate: Cd_pri_rad CO/H2_O C3H5OH +H =CCJCOH 1.300E+013 0.000 6.527 !R_Addition_MultipleBond exact: Cd/H2_Cd/H/Nd H_rad CJCCOH =CCJCOH 1.938E+010 0.890 149.787 !intra_H_migration exact: Others-R2H_S C_rad_out_2H Cs_H_out_H/NonDeC CCJCOH +CJ*CCOH =C3H5OH +C3H5OH 4.560E+014 -0.700 0.000 !Disproportionation exact: Cd_pri_rad Cmethyl_Csrad C3H5OH +CJ*CCOH =C*CJCOH +C3H5OH 3.800E-001 0.000 20.878 !H_Abstraction exact: Cd/H/NonDeC Cd_pri_rad C3H5OH +CJ*CCOH =C*CCOJ +C3H5OH 1.440E+001 3.100 29.037 !H_Abstraction exact: O/H/NonDeC Cd_pri_rad CJ*CCOH =C*CJCOH 3.240E+011 0.730 177.402 !intra_H_migration exact: R2H_D Cd_rad_out_singleH Cd_H_out_singleNd C*CCOJ =CJ*CCOH 1.861E+009 0.991 152.199 !intra_H_migration estimate: R4H_SSD O_rad_out Cd_H_out_singleH CCJCOH +C*CJCOH =C3H5OH +C3H5OH 4.560E+014 -0.700 0.000 !Disproportionation estimate: Cmethyl_Csrad Cd_rad/NonDeC C3H5OH +C*CJCOH =C*CCOJ +C3H5OH 1.440E+001 3.100 29.037 !H_Abstraction estimate: O/H/NonDeC Cd_rad/NonDeC C*CCOJ =C*CJCOH 9.307E+008 0.991 152.199 !intra_H_migration estimate: Others-R3H_SS O_rad_out Cd_H_out_doubleC CCJCOH +C*CCOJ =C3H5OH +C3H5OH 7.230E+013 0.000 0.000 !Disproportionation estimate: Cmethyl_Csrad O_rad/NonDeC CJCCOH +CJ*CCOH =C3H5OH +C3H5OH 2.420E+012 0.000 0.000 !Disproportionation exact: Cd_pri_rad C/H2/Nd_Csrad CJCCOH +C*CJCOH =C3H5OH +C3H5OH 2.420E+012 0.000 0.000 !Disproportionation estimate: C/H2/Nd_Csrad Cd_rad/NonDeC CJCCOH +C*CCOJ =C3H5OH +C3H5OH 4.820E+013 0.000 0.000 !Disproportionation estimate: C/H2/Nd_Csrad O_rad/NonDeC C3H5OH +H =CJCCOH 1.300E+013 0.000 13.640 !R_Addition_MultipleBond exact: Cd/H/Nd_Cd/H2 H_rad CJ*CCOH +H =C3H5OH 1.210E+014 0.000 0.000 !R_Recombination exact: Cd_pri_rad H_rad C*CJCOH +H =C3H5OH 5.000E+013 0.000 0.000 !R_Recombination estimate: Cd_rad/NonDe H_rad C*CCOJ +H =C3H5OH 1.499E+013 -0.150 1.220 !R_Recombination estimate: O_rad/NonDe H_rad C3H5 +CCJCOH =C3H6 +C3H5OH 6.870E+013 -0.350 -0.544 !Disproportionation exact: Cmethyl_Csrad C_rad/H2/Cd C3H5 +CJCCOH =C3H6 +C3H5OH 2.900E+012 0.000 -0.544 !Disproportionation exact: C/H2/Nd_Csrad C_rad/H2/Cd CJ*CCOH +C3H6 =C3H5OH +C3H5 2.319E+013 0.000 31.380 !H_Abstraction exact: Cd_pri_rad C/H3/Cd C*CJCOH +C3H6 =C3H5OH +C3H5 1.656E+013 0.000 31.380 !H_Abstraction exact: Cd_rad/NonDeC C/H3/Cd C*CCOJ +C3H6 =C3H5OH +C3H5 7.461E+007 1.700 15.246 !H_Abstraction estimate: O_rad/NonDeC C/H3/Cd CJ*CCOH +C*CCOJ =C3H5OH +CH2CHCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: Cd_pri_rad C/H2/De_Orad C*CJCOH +C*CCOJ =C3H5OH +CH2CHCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: Cd_rad/NonDeC C/H2/De_Orad C*CCOJ +C*CCOJ =C3H5OH +CH2CHCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: O_rad/NonDeC C/H2/De_Orad C3H5 +C*CCOJ =C3H6 +CH2CHCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: C_rad/H2/Cd C/H2/De_Orad OH +CCJCOH =H2O +C3H5OH 7.230E+013 0.000 0.000 !Disproportionation exact: Cmethyl_Csrad O_pri_rad OH +C*CCOJ =H2O +CH2CHCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: O_pri_rad C/H2/De_Orad OH +CJCCOH =H2O +C3H5OH 4.820E+013 0.000 0.000 !Disproportionation exact: C/H2/Nd_Csrad O_pri_rad C3H5OH +OH =CJ*CCOH +H2O 1.026E+013 0.000 24.853 !H_Abstraction exact: O_pri_rad Cd_pri C3H5OH +OH =C*CJCOH +H2O 1.110E+006 2.000 6.067 !H_Abstraction exact: Cd/H/NonDeC O_pri_rad C3H5OH +OH =C*CCOJ +H2O 1.730E+001 3.400 -4.770 !H_Abstraction exact: O/H/NonDeC O_pri_rad CJ*CCOH +CH2OH =C3H5OH +CH2O 3.010E+013 0.000 0.000 !Disproportionation exact: O_Csrad Cd_pri_rad C*CJCOH +CH2OH =C3H5OH +CH2O 3.010E+013 0.000 0.000 !Disproportionation estimate: Cd_rad/NonDeC O_Csrad C*CCOJ +CH2OH =C3H5OH +CH2O 2.410E+013 0.000 0.000 !Disproportionation exact: O_Csrad O_rad/NonDeC CJ*CCOH +C3H5 =C3H5OH +C3H4 2.410E+012 0.000 0.000 !Disproportionation exact: Cdpri_Csrad Cd_pri_rad C*CJCOH +C3H5 =C3H5OH +C3H4 2.410E+012 0.000 0.000 !Disproportionation estimate: Cd_rad/NonDeC Cdpri_Csrad C*CCOJ +C3H5 =C3H5OH +C3H4 6.030E+012 0.000 0.000 !Disproportionation estimate: O_rad/NonDeC Cdpri_Csrad C2H3 +CCJCOH =C2H4 +C3H5OH 4.560E+014 -0.700 0.000 !Disproportionation exact: Cmethyl_Csrad Cd_pri_rad C2H3 +C*CCOJ =C2H4 +CH2CHCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: Cd_pri_rad C/H2/De_Orad C2H3 +CJCCOH =C2H4 +C3H5OH 2.420E+012 0.000 0.000 !Disproportionation exact: C/H2/Nd_Csrad Cd_pri_rad C3H5OH +C2H3 =C*CJCOH +C2H4 3.800E-001 0.000 20.878 !H_Abstraction exact: Cd_pri_rad Cd/H/NonDeC C3H5OH +C2H3 =C*CCOJ +C2H4 1.440E+001 3.100 29.037 !H_Abstraction exact: Cd_pri_rad O/H/NonDeC CJ*CCOH +C2H4 =C3H5OH +C2H3 5.880E+013 0.000 54.810 !H_Abstraction exact: Cd_pri Cd_pri_rad H +CCJCOH =H2 +C3H5OH 1.083E+013 0.000 0.000 !Disproportionation exact: Cmethyl_Csrad H_rad H +C*CCOJ =H2 +CH2CHCHO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: H_rad C/H2/De_Orad H +CJCCOH =H2 +C3H5OH 3.620E+012 0.000 0.000 !Disproportionation exact: C/H2/Nd_Csrad H_rad C3H5OH +H =C*CCOJ +H2 8.700E+008 1.390 42.133 !H_Abstraction exact: O/H/NonDeC H_rad CJ*CCOH +H2 =C3H5OH +H 8.980E+012 0.000 43.095 !H_Abstraction exact: H2 Cd_pri_rad C*CJCOH +H2 =C3H5OH +H 6.020E+012 0.000 44.350 !H_Abstraction exact: H2 Cd_rad/NonDeC ********************************************* ****** Estimation by RMG ****** C2H5OCH3 ********************************************* CH3 +CH3OCH2 =C2H5OCH3 2.487E+015 -0.900 1.046 !R_Recombination estimate: C_methyl C_rad/H2/O C2H5OCH3+CJCOC =CCJOC +C2H5OCH3 5.564E+002 2.829 39.947 !H_Abstraction estimate: C/H2/CsO C_rad/H2/Cs C2H5OCH3+CJCOC =CCOCJ +C2H5OCH3 2.962E+005 2.142 51.906 !H_Abstraction estimate: C/H3/O C_rad/H2/Cs CJCOC =CCOCJ 7.620E+009 0.350 82.676 !intra_H_migration estimate: R4H_SSS C_rad_out_2H Cs_H_out_2H CJCOC =CCJOC 2.338E+009 1.085 133.260 !intra_H_migration estimate: Others-R2H_S C_rad_out_2H Cs_H_out_H/NonDeO CJCOC +H =C2H5OCH3 1.000E+014 0.000 0.000 !R_Recombination exact: C_rad/H2/Cs H_rad C2H5 +CH3O =C2H5OCH3 1.499E+013 -0.150 1.220 !R_Recombination estimate: C_rad/H2/Cs O_rad/NonDe CCOCJ +C2H5OCH3=C2H5OCH3+CCJOC 5.564E+002 2.829 39.947 !H_Abstraction estimate: C_rad/H2/O C/H2/CsO CCJOC +H =C2H5OCH3 2.000E+013 0.000 0.000 !R_Recombination exact: C_rad/H/NonDeC H_rad CCOCJ =CCJOC 1.180E+010 0.820 146.858 !intra_H_migration exact: Others-R3H_SS C_rad_out_2H Cs_H_out_H/NonDeC CH3CH2O +CH3 =C2H5OCH3 1.210E+013 0.000 0.000 !R_Recombination exact: O_rad/NonDe C_methyl CCOCJ +H =C2H5OCH3 5.000E+013 0.000 0.000 !R_Recombination estimate: C_rad/H2/O H_rad CJCOC +CH3O =C2H5OCH3+CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: C_rad/H2/Cs Cmethyl_Orad CCJOC +CH3O =C2H5OCH3+CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: C_rad/H/NonDeC Cmethyl_Orad CCOCJ +CH3O =C2H5OCH3+CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: C_rad/H2/O Cmethyl_Orad C2H5 +CH2O =CCOCJ 8.258E+011 0.147 10.597 !R_Addition_MultipleBond estimate: C_rad/H2/Cs OCO CJCOC +CH3CH2O =C2H5OCH3+CH3CHO 3.783E+013 -0.355 -0.045 !Disproportionation estimate: C_rad/H2/Cs C/H2/Nd_Orad CCJOC +CH3CH2O =C2H5OCH3+CH3CHO 3.783E+013 -0.355 -0.045 !Disproportionation estimate: C_rad/H/NonDeC C/H2/Nd_Orad CCOCJ +CH3CH2O =C2H5OCH3+CH3CHO 3.783E+013 -0.355 -0.045 !Disproportionation estimate: C_rad/H2/O C/H2/Nd_Orad C2H5OCH3+H =CJCOC +H2 1.884E+008 1.750 31.422 !H_Abstraction exact: H_rad C/H3/Cs C2H5OCH3+H =CCJOC +H2 1.727E+006 2.300 5.565 !H_Abstraction estimate: C/H2/CsO H_rad C2H5OCH3+H =CCOCJ +H2 2.707E+007 2.013 22.733 !H_Abstraction estimate: C/H3/O H_rad CJCOC +C2H5 =C2H5OCH3+C2H4 6.900E+013 -0.350 0.000 !Disproportionation exact: C_rad/H2/Cs Cmethyl_Csrad CCJOC +C2H5 =C2H5OCH3+C2H4 6.330E+014 -0.700 0.000 !Disproportionation exact: C_rad/H/NonDeC Cmethyl_Csrad CCOCJ +C2H5 =C2H5OCH3+C2H4 8.670E+012 0.000 0.000 !Disproportionation exact: C_rad/H2/O Cmethyl_Csrad C2H4 +CH3O =CJCOC 2.000E+011 0.000 52.300 !R_Addition_MultipleBond estimate: Cd/H2_Cd/H2 O_rad/NonDe CH2OH +CJCOC =CH2O +C2H5OCH3 2.410E+012 0.000 0.000 !Disproportionation exact: C_rad/H2/Cs O_Csrad CH2OH +CCJOC =CH2O +C2H5OCH3 2.350E+012 0.000 0.000 !Disproportionation exact: C_rad/H/NonDeC O_Csrad CH2OH +CCOCJ =CH2O +C2H5OCH3 4.820E+012 0.000 0.000 !Disproportionation exact: C_rad/H2/O O_Csrad C2H5OCH3+CH3 =CJCOC +CH4 8.340E+005 1.900 46.233 !H_Abstraction exact: C_methyl C/H3/Cs C2H5OCH3+CH3 =CCJOC +CH4 4.000E+011 0.000 39.748 !H_Abstraction estimate: C/H2/CsO C_methyl C2H5OCH3+CH3 =CCOCJ +CH4 6.150E-004 4.900 28.116 !H_Abstraction exact: C_methyl C/H3/O C2H5OCH3+C2H5 =CCJOC +C2H6 5.564E+002 2.829 39.947 !H_Abstraction estimate: C/H2/CsO C_rad/H2/Cs C2H5OCH3+C2H5 =CCOCJ +C2H6 2.962E+005 2.142 51.906 !H_Abstraction estimate: C/H3/O C_rad/H2/Cs C2H5 +CH3CH2O =C2H6 +CH3CHO 3.783E+013 -0.355 -0.045 !Disproportionation estimate: C_rad/H2/Cs C/H2/Nd_Orad CJCOC +C2H6 =C2H5OCH3+C2H5 3.954E+003 2.710 54.057 !H_Abstraction exact: C/H3/Cs C_rad/H2/Cs ********************************************* ****** From Paper ****** Fural ********************************************* fural =C*CC*C*O+CO 1.995E+015 0.000 280.328 ! Grela and Colussi, J.Phys.Chem.,1986,90,434 ********************************************* ****** Karina Sendt, George B. Bacskay and John C. Mackie, J.Phys.Chem.A, 2000 ****** Pyrolysis of furan ********************************************* furan +CH2 =CH3 +furanJ1 2.000E+012 0.000 33.5 ! K.Sendt,G.B.Bacskay,J.C.Mackie, 2000 furanJ1 =CO +H2CCCH 1.000E+014 0.000 104.6 ! K.Sendt,G.B.Bacskay,J.C.Mackie, 2000 furan =furop1 5.900E+013 0.000 292.9 ! K.Sendt,G.B.Bacskay,J.C.Mackie, 2000 furop1 =furop2 2.200E+012 0.000 23.6 ! K.Sendt,G.B.Bacskay,J.C.Mackie, 2000 furop1 =HCO +H2CCCH 1.400E+015 0.000 289.1 ! K.Sendt,G.B.Bacskay,J.C.Mackie, 2000 furop2 =HCO +H2CCCH 7.900E+014 0.000 292.5 ! K.Sendt,G.B.Bacskay,J.C.Mackie, 2000 furop2 =CO +C3H4P 1.700E+013 0.000 167.8 ! K.Sendt,G.B.Bacskay,J.C.Mackie, 2000 ****** furan =C2H2 +CH2CO 9.000E+014 0.000 344.3 ! K.Sendt,G.B.Bacskay,J.C.Mackie, 2000 furan =C2H2 +CH2CO 5.010E+014 0.000 324.0 ! K.Sendt,G.B.Bacskay,J.C.Mackie, 2000 ********************************************* ****** E.Ranzi et al., Energy and Fuels, 2008 ****** Chemical Kinetics of Biomass Pyrolysis ********************************************* H +O2 +O2 =HO2 +O2 8.900E+014 0.000 -11.815 **** CO +H2O =CO2 +H2 2.000E+011 0.000 159.098 CH3 +CH3 +M008 =C2H6 +M008 2.500E+013 0.000 0.000 LOW 2.330E+034 -5.030 -5.024 TROE 0.3800 73.0 1180.0 1180.0 H +C2H5 +M009 =C2H6 +M009 5.210E+017 -0.990 6.615 LOW 1.990E+041 -7.080 27.989 TROE 0.8422 125.0 2219.0 6882.0 C2H4 +M(5) =C2H3 +H +M(5) 2.600E+017 0.000 404.445 C3H4 +M(5) =H2CCCH +H +M(5) 1.000E+017 0.000 293.076 C3H4P +M(5) =H2CCCH +H +M(5) 1.880E+018 0.000 317.623 C4H2 +M(5) =C2H +C2H +M(5) 1.000E+017 0.000 523.350 C2C*C =CJ*CC +CH3 5.000E+016 0.000 422.867 C2H3 +C2JC*C >C2H2 +C2C*C 2.000E+012 0.000 0.000 H2CCCH +H2CCCH >C2H2 +C4H4 1.000E+011 0.000 0.000 C3H4 >C3H4P 1.200E+014 0.000 285.125 C3H4P >C3H4 3.300E+013 0.000 278.422 C2H2 +H +M010 =C2H3 +M010 1.000E+013 0.000 11.597 LOW 3.900E+016 0.000 -2.345 TROE 0.5000 1.E30 1.E30 1.E30 C2H4 +H +M011 =C2H5 +M011 1.770E+013 0.000 8.834 LOW 4.600E+018 0.000 4.480 TROE 1.0000 1.E-15 95.0 200.0 C3H4P +H +M(5) =CJ*CC +M(5) 6.500E+012 0.000 8.374 LOW 8.450E+039 -7.270 27.537 TROE 0.5000 1.E30 1.E30 1.E30 C3H4 +H +M(5) =C3H5 +M(5) 1.200E+011 0.690 12.590 LOW 5.660E+033 -5.000 18.623 TROE 0.5000 1.E30 1.E30 1.E30 C3H4 +H +M(5) =CJ*CC +M(5) 8.490E+012 0.000 8.374 LOW 1.110E+034 -5.000 18.623 TROE 0.5000 1.E30 1.E30 1.E30 C*CCCJ =C2H3 +C2H4 2.500E+013 0.000 159.098 C*CCCJ >C2JC*C 1.000E+014 0.000 209.340 CH +C3H2 =C4H2 +H 5.000E+013 0.000 0.000 H2CCCH +CH =C4H2 +H +H 5.000E+013 0.000 0.000 H2CCCH +CH2 =C4H4 +H 5.000E+013 0.000 0.000 C3H2 +CH3 =C4H4 +H 1.000E+012 0.000 0.000 H2CCCH +I-C4H7 >C4H4 +C3H6 4.000E+012 0.000 0.000 H2CCCH +C2JC*C >C4H4 +C3H6 4.000E+012 0.000 0.000 CH3 +CH4 >C2H6 +H 2.500E+013 0.000 129.791 NC3H7 +C2H4 >C3H6 +C2H5 2.000E+011 0.000 31.820 IC3H7 +C3H6 >NC3H7 +C3H6 5.000E+010 0.000 31.820 C2H +C2H2 =C4H2 +H 1.000E+013 0.000 0.000 C2H +C3H4P >C4H2 +CH3 3.000E+011 0.000 33.494 CJ*CC +C3H4P >C3H6 +H2CCCH 4.000E+011 0.000 12.560 C2H4 +M(5) =C2H2 +H2 +M(5) 2.600E+017 0.000 332.013 C2H6 =C2H4 +H2 3.000E+013 0.000 299.356 C3H6 =C3H4 +H2 1.800E+013 0.000 326.570 C3H6 =C3H4P +H2 1.800E+013 0.000 326.570 C3H8 =C3H6 +H2 5.000E+013 0.000 293.076 C4H4 =C4H2 +H2 2.800E+013 0.000 343.318 C2H4 +C2H4 =C4H8 1.000E+010 0.000 167.472 C3H6 +C3H6 =C4H8 +C2H4 3.000E+011 0.000 177.939 C3H4 +C3H4 >C2H4 +C4H4 5.000E+011 0.000 104.670 CH2O +M012 =CO +H2 +M012 8.300E+015 0.000 293.076 CH3CO +M(5) =CH3 +CO +M(5) 2.500E+015 0.000 60.290 H +CH3OH >H2O +CH3 6.500E+011 0.000 22.190 O +C2H2 >CH2CO 1.000E+013 0.000 62.802 O +C2H4 >CH3CHO 1.000E+009 0.000 20.934 O +C3H4P =C2H4 +CO 5.000E+012 0.000 8.801 O +C4H4 =HCO +H2CCCH 3.200E+008 1.440 2.198 O +CH2O >H +H +CO2 2.000E+013 0.000 20.934 O +CH3CHO >CH3 +H +CO2 2.000E+013 0.000 12.560 O +CH2CO >CO +CH2O 1.000E+012 0.000 20.934 OH +CH2O >H +H2 +CO2 1.000E+012 0.000 0.000 OH +CH2CO >CH3 +CO2 3.000E+012 0.000 0.000 OH +CH3CHO >CH3 +H2 +CO2 2.000E+011 0.000 0.000 OH +C4H2 =C2H2 +HCCO 5.000E+012 0.000 0.000 OH +C4H4 >CO +C3H5 3.000E+013 0.000 0.000 HO2 +C2H2 >CH2O +HCO 5.000E+012 0.000 62.802 HO2 +C3H4P >O2 +CJ*CC 5.000E+012 0.000 62.802 HCO +C2H2 >CO +C2H3 5.000E+011 0.000 25.121 HCO +CH2O =CO2 +CH3 1.500E+012 0.000 25.121 HCO +CH3CHO >CO2 +C2H5 5.000E+011 0.000 25.121 O2 +C2H2 >CO +CH2O 3.000E+011 0.000 108.857 O2 +C2H4 >CH2O +CH2O 1.000E+014 0.000 200.966 O2 +C3H6 >CH2O +CH3CHO 1.000E+014 0.000 163.285 O2 +CH2CO >CH2O +CO2 1.000E+014 0.000 154.912 O2 +CH2CO >OH +HCO +CO 6.000E+014 0.000 167.472 O2 +C2H4 >CH3O +HCO 1.000E+014 0.000 180.032 O2 +CJ*CC >HO2 +C3H4P 5.000E+012 0.000 8.374 O2 +C2H =CH +CO2 4.500E+015 0.000 104.670 O2 +C2H3 >CH2CO +OH 6.000E+011 0.000 4.187 O2 +C2H5 >CH3 +CH2O +O 1.000E+013 0.000 113.044 O2 +C2H5 >CH2O +CH3O 1.000E+014 0.000 100.483 O2 +CH2CHO >CH2O +OH +CO 6.000E+010 0.000 0.000 O2 +C2JC*C >O2 +CH3 +C3H4 8.000E+012 0.000 92.110 O +CH3 +M(5) >CH3O +M(5) 5.000E+016 0.000 0.000 O +C2H3 >CH2CHO 2.500E+013 0.000 0.000 O +NC3H7 >C2H5 +CH2O 2.000E+013 0.000 0.000 O +C3H5 >C2H3 +CH2O 5.000E+013 0.000 0.000 O +C2JC*C >CJ*CC +CH2O 5.000E+013 0.000 0.000 O +CH2CHO >CH2O +HCO 5.000E+013 0.000 0.000 OH +C2JC*C >C3H6 +CH2O 2.000E+012 0.000 0.000 OH +I-C4H7 >C2H4 +CH3CHO 2.000E+012 0.000 0.000 HO2 +C2H3 >CH2CHO +OH 3.000E+012 0.000 0.000 HO2 +C3H5 >OH +CH2O +C2H3 3.500E+011 0.000 0.000 HO2 +C2JC*C >OH +CH2O +CJ*CC 3.000E+011 0.000 0.000 CH3O +CH3O >CH2O +CH3OH 2.000E+012 0.000 0.000 CH2OH +CH3O >CH3OH +CH2O 4.000E+012 0.000 0.000 HO2 +CH2CO >CH2O +CO +OH 1.000E+010 0.000 20.934 CH2CHO +H >CH3CHO 6.000E+013 0.000 0.000 CH2CHO +OH >CH2OH +HCO 1.000E+013 0.000 0.000 OH +C2H2 >CH2CHO 5.000E+011 0.000 0.000 O2 +CH2CHO >HO2 +CH2CO 5.000E+011 0.000 12.560 CH4 +HCH =CH3 +CH3 4.300E+012 0.000 42.010 CH3 +OH =CH2 +H2O 2.000E+013 0.000 0.000 HCH +HCH =C2H2 +H +H 1.200E+014 0.000 0.000 C2H2 +CH =C3H2 +H 8.400E+013 0.000 0.000 CH2CO +O =HCH +CO2 1.500E+012 0.000 5.652 HCH +CH2CO =C2H4 +CO 1.000E+012 0.000 0.000 HCH +CH2CO =HCCO +CH3 3.600E+013 0.000 46.055 CH3 +CH2CO =C2H5 +CO 1.000E+011 0.000 8.374 HCCO +OH =HCO +CO +H 1.000E+013 0.000 0.000 HCCO +O2 =CO2 +HCO 2.400E+011 0.000 -3.576 HCCO +HCH =C2H3 +CO 3.000E+013 0.000 0.000 C4H2 +O =C3H2 +CO 2.700E+013 0.000 6.950 C4H2 +OH =C3H2 +HCO 3.000E+012 0.000 0.000 H2CCCH +OH =C2H3 +HCO 4.000E+013 0.000 0.000 H2CCCH +HCO =C3H4P +CO 2.500E+013 0.000 0.000 C3H2 +O2 =HCCO +HCO 4.000E+013 0.000 0.000 C3H5 +CJ*CC >C5H6 +CH4 6.000E+012 0.000 0.000 C2H3 +C3H4 >C5H6 +H 5.000E+011 0.000 12.560 C2H3 +C3H4P >C5H6 +H 5.000E+011 0.000 12.560 H2CCCH +C2H4 =H +C5H6 5.000E+010 0.000 85.411 I-C4H7 +C2H4 >CH3 +C5H6 +H2 1.500E+011 0.000 54.428 C2JC*C +C2H4 >C5H6 +CH4 +H 1.050E+011 0.000 75.362 C2H2 +C3H4 =C5H6 5.000E+010 0.000 92.110 C2H2 +C3H4P =C5H6 5.000E+010 0.000 92.110 OH +C6H6 >C5H6 +CO +H 1.000E+013 0.000 29.308 H2CCCH +H2CCCH +M(5) =C6H6 +M(5) 3.000E+012 0.000 0.000 LOW 5.000E+017 0.000 0.000 TROE 0.5000 1.E30 1.E30 1.E30 C2H4 +C5H6 >C6H6 +CH3 +H 3.000E+011 0.000 125.604 C3H6 +C5H6 >C6H6 +CH3 +CH3 3.000E+011 0.000 125.604 C5H6 +C6H6 >C10H8 +CH3 +H 5.000E+011 0.000 125.604 H2CCCH +C3H4P >C6H6 +H 1.000E+013 0.000 75.362 C3H5 +C3H4 >C6H6 +H2 +H 2.000E+012 0.000 69.082 C3H5 +C3H4P >C6H6 +H2 +H 2.000E+012 0.000 69.082 C2H4 +C4H2 >C6H6 3.000E+011 0.000 92.110 C2H4 +C4H4 >C6H6 +H2 3.000E+011 0.000 92.110 CCOOH >CH2O +CH3 +OH 1.000E+015 0.000 167.472 LONGR003>C2-OQOOH+OH 1.000E+012 0.000 119.324 C2-OQOOH>OH +CH2O +HCO 1.000E+015 0.000 180.032 CH3OOJ +OH >CH3O +HO2 3.000E+012 0.000 0.000 CH3OOJ +HO2 >O2 +CH2O +H2O 5.000E+010 0.000 0.000 CH3OOJ +CH3OOJ >O2 +CH3OH +CH2O 1.000E+010 0.000 0.000 CH3OOJ +C3H5 >O2 +C4H8 1.500E+011 0.000 0.000 CCOOJ +HO2 =CCOOH +O2 1.000E+011 0.000 -10.886 CCOOJ +CH3 >CH3 +CH2O +CH3O 2.000E+012 0.000 -5.024 CH3O +CH3OOH >CH3OH +OH +CH2O 1.500E+011 0.000 27.214 CH3OOJ +CO >CO2 +CH3O 1.000E+014 0.000 100.483 CCOOJ +CO >CO2 +CH3 +CH2O 1.000E+014 0.000 100.483 glycol =CH2OH +CH2OH 3.000E+016 0.000 347.504 glycol =CH2CH2OH+OH 3.000E+016 0.000 389.372 glycol =CH2O +CH3OH 1.000E+013 0.000 247.021 glycol =CH3CHO +H2O 1.000E+013 0.000 247.021 C2H4O2 =CH2OH +HCO 3.000E+016 0.000 343.318 C2H4O2 =CH2O +CH2O 5.000E+012 0.000 251.208 C2H2O2 =HCO +HCO 3.000E+016 0.000 297.263 NC3H7OH =CH3 +CH2CH2OH 2.000E+016 0.000 360.065 NC3H7OH =C2H5 +CH2OH 2.000E+016 0.000 343.318 NC3H7OH =C3H6 +H2O 1.000E+013 0.000 247.021 NC3H7OH =C2H6 +CH2O 1.000E+013 0.000 247.021 C3H6O2 =CH2CH2OH+HCO 3.000E+016 0.000 343.318 C3H6O2 =CH2OH +CH2CHO 3.000E+016 0.000 339.131 C3H6O2 =CH2CHCHO+H2O 1.000E+013 0.000 247.021 C3H6O2 =CH3CHO +CH2O 1.000E+013 0.000 247.021 C3H4O2 =HCO +CH2CHO 1.000E+016 0.000 322.384 C3H4O3 =HCO +C2H2O2 +H 1.000E+016 0.000 322.384 C4H6O2 >CH3CO +CH3CO 1.000E+016 0.000 301.450 C6H6O3 >fural +H +HCO 2.000E+016 0.000 330.757 C6H6O3 =CH2O +fural 5.000E+012 0.000 247.021 furanJ1 >CH2CO +C2H 1.000E+013 0.000 167.472 lvgcsn >C6H8O4 +H2O 2.500E+012 0.000 251.208 lvgcsn >C6H6O3 +H2O +H2O 2.500E+012 0.000 251.208 C6H8O4 >C6H6O3 +H2O 2.500E+012 0.000 247.021 C5H8O4 >C2H4O2 +HCO +CH2CHO 1.700E+016 0.000 343.318 DMGLE >CH3OCH2 +CH3OCH2 3.000E+015 0.000 309.823 DMGLE >CH3 +CH2O +CH3OCH2 3.000E+015 0.000 318.197 CH3OCH2 +CH3 >C2H5 +CH3O 5.000E+013 0.000 0.000 CH3OCH2 +O2 >DME-OO 1.000E+012 0.000 0.000 DME-OO >CH3OCH2 +O2 3.000E+013 0.000 149.887 DME-OO >DME-QOOH 3.000E+011 0.000 92.110 DME-QOOH>DME-OO 2.000E+010 0.000 54.847 DME-QOOH>CH2O +CH2O +OH 1.250E+013 0.000 79.549 DME-QOOH+O2 >LONGR004 1.000E+012 0.000 0.000 LONGR004>DME-QOOH+O2 3.000E+013 0.000 149.887 LONGR004>LONGR001+OH 3.000E+011 0.000 92.110 MTBE >C2CCJ +CH3O 1.000E+017 0.000 330.757 MTBE >CH3COCH3+CH3 +CH3 2.000E+017 0.000 347.504 ETBE >C2CCJ +CH3 +CH2O 5.000E+016 0.000 326.570 ETBE >CH3COCH3+C2H5 +CH3 5.000E+016 0.000 339.131 DIPE >IC3H7 +CH3CHO +CH3 1.500E+017 0.000 339.131 TAME >CH3COCH3+C2H5 +CH3 1.000E+017 0.000 343.318 TAME >CH3O +CH3 +C2C*C 5.000E+016 0.000 351.691 TAME >CH3 +CH3 +THF 1.000E+017 0.000 351.691 O2 +MTBE >HO2 +RMTBE 6.000E+014 0.000 209.340 O2 +ETBE >HO2 +CH3CHO +C2CCJ 7.500E+013 0.000 200.966 O2 +DIPE >HO2 +RDIPE 2.000E+014 0.000 192.593 MTBE =C2C*C +CH3OH 2.000E+014 0.000 244.928 ETBE >C2C*C +C2H5OH 2.000E+014 0.000 240.741 DIPE >C3H6 +IC3H7OH 1.000E+014 0.000 240.741 OH +IC3H7 =IC3H7OH 1.000E+013 0.000 0.000 O2 +IC3H7OH >HO2 +CH3CHO +CH3 2.500E+012 0.000 242.834 O2 +IC3H7OH >HO2 +C3H6 +OH 4.000E+013 0.000 226.087 O2 +IC3H7OH >HO2 +CH3COCH3+H 1.000E+013 0.000 182.126 IC3H7OH =CH3 +CH3CHOH 4.000E+016 0.000 347.504 IC3H7OH =C3H6 +H2O 2.000E+014 0.000 305.636 IC3H7OH =C2H5CHO +H2 1.000E+014 0.000 318.197 IC3H7OH >CH3CHO +CH3 +H 5.000E+016 0.000 397.746 RMTBE +O2 >MTBE-OO 1.000E+012 0.000 0.000 MTBE-OO >RMTBE +O2 3.000E+013 0.000 123.511 MTBE-OO >LONGR006 4.000E+011 0.000 87.923 LONGR006>MTBE-OO 9.000E+010 0.000 50.242 LONGR006>C2C*C +CH2O +HO2 3.500E+013 0.000 98.390 LONGR006>MTBE-O +OH 1.200E+011 0.000 64.895 LONGR006+O2 >LONGR007 1.000E+012 0.000 0.000 LONGR007>LONGR006+O2 3.000E+013 0.000 123.511 LONGR007>OH +LONGR002 4.000E+011 0.000 87.923 O2 +HCO >HCO3 2.000E+011 0.000 0.000 HCO3 >O2 +HCO 7.000E+012 0.000 142.351 HCO3 +HO2 >O2 +HCO3H 2.000E+011 0.000 0.000 HCO3H >OH +OH +CO 2.000E+014 0.000 159.098 CH3CO3H >CH3 +CO2 +OH 1.000E+015 0.000 156.586 O2 +CH3CO >CH3CO3 6.000E+010 0.000 0.000 CH3CO3 >CH3CO +O2 2.500E+012 0.000 133.978 CH3CO3 +HO2 >CH3CO3H +O2 2.000E+012 0.000 0.000 C2H5OH =CH3 +CH2OH 2.000E+016 0.000 355.878 C2H5OH =C2H4 +H2O 1.000E+014 0.000 309.823 C2H5OH =CH3CHOH +H 5.000E+016 0.000 397.746 CH3CHOH +M(5) =H +CH3CHO +M(5) 1.800E+024 -2.500 143.189 O +C3H6 >C2H5CHO 1.000E+012 0.000 20.934 HCO +C3H6 >CH2CHCHO+CH3 5.000E+011 0.000 25.121 O2 +C2C*C >CH3COCH3+CH2O 1.000E+013 0.000 184.219 O2 +CH3CHOH =HO2 +CH3CHO 2.000E+012 0.000 12.560 O2 +CH2CH2OH>CH2O +CH2O +OH 1.000E+012 0.000 16.747 O2 +CH3COCH2>CH2CO +CH2O +OH 8.000E+011 0.000 0.000 OH +C2H5 =C2H5OH 1.000E+013 0.000 0.000 HO2 +CJ*CC >CH3COCH2+OH 5.000E+011 0.000 0.000 HO2 +CH3COCH2>CH2O +OH +CH3CO 1.000E+011 0.000 0.000 C6H5OH =OH +C6H5 5.000E+016 0.000 481.482 O2 +C6H6 >OH +C6H5O 4.000E+013 0.000 184.219 H +H2 >H2 +H 3.003E+007 2.000 32.065 HCO3 +H2 >HCO3H +H 4.759E+005 2.000 43.370 CH3CO3 +H2 >CH3CO3H +H 4.759E+005 2.000 43.370 CH3 +CH4 >CH4 +CH3 2.732E+005 2.000 46.512 HCO3 +CH4 >HCO3H +CH3 2.380E+005 2.000 54.326 CH3CO3 +CH4 >CH3CO3H +CH3 2.380E+005 2.000 54.326 furanJ1 +C2H2 >furan +C2H 1.357E+005 2.000 48.574 HCO3 +C2H2 >HCO3H +C2H 6.799E+004 2.000 55.566 CH3CO3 +C2H2 >CH3CO3H +C2H 6.799E+004 2.000 55.566 C2H3 +C2H4 >C2H4 +C2H3 1.085E+006 2.000 47.637 furanJ1 +C2H4 >furan +C2H3 1.085E+006 2.000 49.555 HCO3 +C2H4 >HCO3H +C2H3 5.439E+005 2.000 55.566 CH3CO3 +C2H4 >CH3CO3H +C2H3 5.439E+005 2.000 55.566 C2H5 +C2H6 >C2H6 +C2H5 2.068E+005 2.000 44.069 furanJ1 +C2H6 >furan +C2H5 6.105E+005 2.000 31.054 HCO3 +C2H6 >HCO3H +C2H5 3.060E+005 2.000 37.788 CH3CO3 +C2H6 >CH3CO3H +C2H5 3.060E+005 2.000 37.788 C3H5 +C3H6 >C3H6 +C3H5 7.220E+004 2.000 61.676 C2JC*C +C3H6 >C2C*C +C3H5 1.020E+005 2.000 61.676 CJ*CC +C3H6 >C3H6 +C3H5 8.101E+004 2.000 22.360 I-C4H7 +C3H6 >C4H8 +C3H5 1.020E+005 2.000 61.676 C*CCCJ +C3H6 >C4H8 +C3H5 4.060E+004 2.000 28.159 HCCO +C3H6 >CH2CO +C3H5 1.284E+005 2.000 25.688 CH3CO +C3H6 >CH3CHO +C3H5 4.060E+005 2.000 55.377 CH2CHO +C3H6 >CH3CHO +C3H5 6.895E+004 2.000 47.794 C6H5 +C3H6 >C6H6 +C3H5 4.060E+004 2.000 2.892 furanJ1 +C3H6 >furan +C3H5 2.035E+005 2.000 16.881 HCO3 +C3H6 >HCO3H +C3H5 1.020E+005 2.000 26.212 CH3CO3 +C3H6 >CH3CO3H +C3H5 1.020E+005 2.000 26.212 CH3COCH2+C3H6 >CH3COCH3+C3H5 6.895E+004 2.000 47.794 HCO +C3H6 >CH2O +CJ*CC 5.526E+005 2.000 85.071 C3H5 +C3H6 >C3H6 +CJ*CC 1.053E+005 2.000 98.350 C2JC*C +C3H6 >C2C*C +CJ*CC 1.487E+005 2.000 98.350 CJ*CC +C3H6 >C3H6 +CJ*CC 1.181E+005 2.000 44.978 I-C4H7 +C3H6 >C4H8 +CJ*CC 1.487E+005 2.000 98.350 C*CCCJ +C3H6 >C4H8 +CJ*CC 5.921E+004 2.000 56.629 CH2OH +C3H6 >CH3OH +CJ*CC 1.237E+005 2.000 69.665 HCCO +C3H6 >CH2CO +CJ*CC 1.872E+005 2.000 48.617 CH3CO +C3H6 >CH3CHO +CJ*CC 5.921E+005 2.000 93.173 CH3O +C3H6 >CH3OH +CJ*CC 1.872E+005 2.000 30.696 CH2CHO +C3H6 >CH3CHO +CJ*CC 1.006E+005 2.000 79.417 C6H5 +C3H6 >C6H6 +CJ*CC 5.921E+004 2.000 20.174 furanJ1 +C3H6 >furan +CJ*CC 2.967E+005 2.000 48.521 HCO3 +C3H6 >HCO3H +CJ*CC 1.487E+005 2.000 54.326 CH3CO3 +C3H6 >CH3CO3H +CJ*CC 1.487E+005 2.000 54.326 CH3COCH2+C3H6 >CH3COCH3+CJ*CC 1.006E+005 2.000 79.417 NC3H7 +C3H8 >C3H8 +NC3H7 1.083E+005 2.000 39.463 furanJ1 +C3H8 >furan +NC3H7 5.426E+005 2.000 31.555 HCO3 +C3H8 >HCO3H +NC3H7 2.720E+005 2.000 37.788 CH3CO3 +C3H8 >CH3CO3H +NC3H7 2.720E+005 2.000 37.788 IC3H7 +C3H8 >C3H8 +IC3H7 2.707E+004 2.000 29.966 furanJ1 +C3H8 >furan +IC3H7 1.357E+005 2.000 20.165 HCO3 +C3H8 >HCO3H +IC3H7 6.799E+004 2.000 26.212 CH3CO3 +C3H8 >CH3CO3H +IC3H7 6.799E+004 2.000 26.212 HCO +C4H8 >CH2O +I-C4H7 6.315E+005 2.000 48.237 C3H5 +C4H8 >C3H6 +I-C4H7 1.203E+005 2.000 61.676 H2CCCH +C4H8 >C3H4 +I-C4H7 1.350E+005 2.000 65.032 C2JC*C +C4H8 >C2C*C +I-C4H7 1.700E+005 2.000 61.676 CJ*CC +C4H8 >C3H6 +I-C4H7 1.350E+005 2.000 22.360 I-C4H7 +C4H8 >C4H8 +I-C4H7 1.700E+005 2.000 61.676 C*CCCJ +C4H8 >C4H8 +I-C4H7 6.767E+004 2.000 28.159 CH2OH +C4H8 >CH3OH +I-C4H7 1.414E+005 2.000 39.318 HCCO +C4H8 >CH2CO +I-C4H7 2.140E+005 2.000 25.688 CH3CO +C4H8 >CH3CHO +I-C4H7 6.767E+005 2.000 55.377 CH3O +C4H8 >CH3OH +I-C4H7 2.140E+005 2.000 5.849 CH2CHO +C4H8 >CH3CHO +I-C4H7 1.149E+005 2.000 47.794 C6H5 +C4H8 >C6H6 +I-C4H7 6.767E+004 2.000 2.892 furanJ1 +C4H8 >furan +I-C4H7 3.391E+005 2.000 16.881 HCO3 +C4H8 >HCO3H +I-C4H7 1.700E+005 2.000 26.212 CH3CO3 +C4H8 >CH3CO3H +I-C4H7 1.700E+005 2.000 26.212 CH3COCH2+C4H8 >CH3COCH3+I-C4H7 1.149E+005 2.000 47.794 HCO +C4H8 >CH2O +C*CCCJ 3.789E+005 2.000 65.003 C3H5 +C4H8 >C3H6 +C*CCCJ 7.220E+004 2.000 77.772 H2CCCH +C4H8 >C3H4 +C*CCCJ 8.101E+004 2.000 75.470 C2JC*C +C4H8 >C2C*C +C*CCCJ 1.020E+005 2.000 77.772 CJ*CC +C4H8 >C3H6 +C*CCCJ 8.101E+004 2.000 30.252 I-C4H7 +C4H8 >C4H8 +C*CCCJ 1.020E+005 2.000 77.772 C*CCCJ +C4H8 >C4H8 +C*CCCJ 4.060E+004 2.000 39.882 CH2OH +C4H8 >CH3OH +C*CCCJ 8.483E+004 2.000 51.814 HCCO +C4H8 >CH2CO +C*CCCJ 1.284E+005 2.000 33.601 CH3CO +C4H8 >CH3CHO +C*CCCJ 4.060E+005 2.000 72.539 CH3O +C4H8 >CH3OH +C*CCCJ 1.284E+005 2.000 16.436 CH2CHO +C4H8 >CH3CHO +C*CCCJ 6.895E+004 2.000 60.816 C6H5 +C4H8 >C6H6 +C*CCCJ 4.060E+004 2.000 8.481 furanJ1 +C4H8 >furan +C*CCCJ 2.035E+005 2.000 31.508 HCO3 +C4H8 >HCO3H +C*CCCJ 1.020E+005 2.000 37.788 CH3CO3 +C4H8 >CH3CO3H +C*CCCJ 1.020E+005 2.000 37.788 CH3COCH2+C4H8 >CH3COCH3+C*CCCJ 6.895E+004 2.000 60.816 HCO +C2C*C >CH2O +C2JC*C 7.578E+005 2.000 48.237 C3H5 +C2C*C >C3H6 +C2JC*C 1.444E+005 2.000 61.676 H2CCCH +C2C*C >C3H4 +C2JC*C 1.620E+005 2.000 65.032 C2JC*C +C2C*C >C2C*C +C2JC*C 2.040E+005 2.000 61.676 CJ*CC +C2C*C >C3H6 +C2JC*C 1.620E+005 2.000 22.360 I-C4H7 +C2C*C >C4H8 +C2JC*C 2.040E+005 2.000 61.676 C*CCCJ +C2C*C >C4H8 +C2JC*C 8.120E+004 2.000 28.159 CH2OH +C2C*C >CH3OH +C2JC*C 1.697E+005 2.000 39.318 HCCO +C2C*C >CH2CO +C2JC*C 2.568E+005 2.000 25.688 CH3CO +C2C*C >CH3CHO +C2JC*C 8.120E+005 2.000 55.377 CH3O +C2C*C >CH3OH +C2JC*C 2.568E+005 2.000 5.849 CH2CHO +C2C*C >CH3CHO +C2JC*C 1.379E+005 2.000 47.794 C6H5 +C2C*C >C6H6 +C2JC*C 8.120E+004 2.000 2.892 furanJ1 +C2C*C >furan +C2JC*C 4.070E+005 2.000 16.881 HCO3 +C2C*C >HCO3H +C2JC*C 2.040E+005 2.000 26.212 CH3CO3 +C2C*C >CH3CO3H +C2JC*C 2.040E+005 2.000 26.212 CH3COCH2+C2C*C >CH3COCH3+C2JC*C 1.379E+005 2.000 47.794 OH +H2O >H2O +OH 3.994E+006 2.000 9.309 furanJ1 +H2O >furan +OH 6.783E+005 2.000 77.230 HCO3 +H2O >HCO3H +OH 3.399E+005 2.000 78.306 CH3CO3 +H2O >CH3CO3H +OH 3.399E+005 2.000 78.306 HO2 +H2O2 >H2O2 +HO2 4.310E+004 2.000 23.151 furanJ1 +H2O2 >furan +HO2 5.426E+004 2.000 -1.127 HCO3 +H2O2 >HCO3H +HO2 2.720E+004 2.000 6.160 CH3CO3 +H2O2 >CH3CO3H +HO2 2.720E+004 2.000 6.160 HCO +CH3OH >CH2O +CH3O 6.315E+004 2.000 63.351 H2CCCH +CH3OH >C3H4 +CH3O 1.350E+004 2.000 67.598 C2JC*C +CH3OH >C2C*C +CH3O 1.700E+004 2.000 74.722 CJ*CC +CH3OH >C3H6 +CH3O 1.350E+004 2.000 23.579 I-C4H7 +CH3OH >C4H8 +CH3O 1.700E+004 2.000 74.722 C*CCCJ +CH3OH >C4H8 +CH3O 6.767E+003 2.000 35.695 HCCO +CH3OH >CH2CO +CH3O 2.140E+004 2.000 26.631 CH3CO +CH3OH >CH3CHO +CH3O 6.767E+004 2.000 70.746 CH3O +CH3OH >CH3OH +CH3O 2.140E+004 2.000 13.618 CH2CHO +CH3OH >CH3CHO +CH3O 1.149E+004 2.000 56.165 C6H5 +CH3OH >C6H6 +CH3O 6.767E+003 2.000 2.341 furanJ1 +CH3OH >furan +CH3O 3.391E+004 2.000 30.621 HCO3 +CH3OH >HCO3H +CH3O 1.700E+004 2.000 33.654 CH3CO3 +CH3OH >CH3CO3H +CH3O 1.700E+004 2.000 33.654 CH3COCH2+CH3OH >CH3COCH3+CH3O 1.149E+004 2.000 56.165 H2CCCH +CH3OH >C3H4 +CH2OH 8.101E+004 2.000 76.657 C2JC*C +CH3OH >C2C*C +CH2OH 1.020E+005 2.000 76.999 CJ*CC +CH3OH >C3H6 +CH2OH 8.101E+004 2.000 31.356 I-C4H7 +CH3OH >C4H8 +CH2OH 1.020E+005 2.000 76.999 C*CCCJ +CH3OH >C4H8 +CH2OH 4.060E+004 2.000 39.882 CH2OH +CH3OH >CH3OH +CH2OH 8.483E+004 2.000 51.814 HCCO +CH3OH >CH2CO +CH2OH 1.284E+005 2.000 34.788 CH3CO +CH3OH >CH3CHO +CH2OH 4.060E+005 2.000 71.297 CH2CHO +CH3OH >CH3CHO +CH2OH 6.895E+004 2.000 60.816 C6H5 +CH3OH >C6H6 +CH2OH 4.060E+004 2.000 9.668 furanJ1 +CH3OH >furan +CH2OH 2.035E+005 2.000 30.266 HCO3 +CH3OH >HCO3H +CH2OH 1.020E+005 2.000 37.788 CH3CO3 +CH3OH >CH3CO3H +CH2OH 1.020E+005 2.000 37.788 CH3COCH2+CH3OH >CH3COCH3+CH2OH 6.895E+004 2.000 60.816 HCO +CH2O >CH2O +HCO 1.010E+006 2.000 41.248 H2CCCH +CH2O >C3H4 +HCO 2.160E+005 2.000 55.646 C2JC*C +CH2O >C2C*C +HCO 2.720E+005 2.000 53.889 CJ*CC +CH2O >C3H6 +HCO 2.160E+005 2.000 14.733 I-C4H7 +CH2O >C4H8 +HCO 2.720E+005 2.000 53.889 C*CCCJ +CH2O >C4H8 +HCO 1.083E+005 2.000 21.041 HCCO +CH2O >CH2CO +HCO 3.424E+005 2.000 17.834 CH3CO +CH2O >CH3CHO +HCO 1.083E+006 2.000 48.148 CH3O +CH2O >CH3OH +HCO 3.424E+005 2.000 0.131 CH2CHO +CH2O >CH3CHO +HCO 1.839E+005 2.000 39.889 furanJ1 +CH2O >furan +HCO 5.426E+005 2.000 11.191 HCO3 +CH2O >HCO3H +HCO 2.720E+005 2.000 19.183 CH3CO3 +CH2O >CH3CO3H +HCO 2.720E+005 2.000 19.183 HCO +CH3CHO >CH2O +CH3CO 6.063E+005 2.000 40.612 C3H5 +CH3CHO >C3H6 +CH3CO 1.155E+005 2.000 53.493 H2CCCH +CH3CHO >C3H4 +CH3CO 1.296E+005 2.000 56.254 C2JC*C +CH3CHO >C2C*C +CH3CO 1.632E+005 2.000 53.493 CJ*CC +CH3CHO >C3H6 +CH3CO 1.296E+005 2.000 15.298 I-C4H7 +CH3CHO >C4H8 +CH3CO 1.632E+005 2.000 53.493 C*CCCJ +CH3CHO >C4H8 +CH3CO 6.496E+004 2.000 21.041 CH2OH +CH3CHO >CH3OH +CH3CO 1.357E+005 2.000 31.731 HCCO +CH3CHO >CH2CO +CH3CO 2.054E+005 2.000 18.442 CH3CO +CH3CHO >CH3CHO +CH3CO 6.496E+005 2.000 47.512 CH3O +CH3CHO >CH3OH +CH3CO 2.054E+005 2.000 -0.011 CH2CHO +CH3CHO >CH3CHO +CH3CO 1.103E+005 2.000 39.889 C6H5 +CH3CHO >C6H6 +CH3CO 6.496E+004 2.000 -2.942 furanJ1 +CH3CHO >furan +CH3CO 3.256E+005 2.000 10.555 HCO3 +CH3CHO >HCO3H +CH3CO 1.632E+005 2.000 19.183 CH3CO3 +CH3CHO >CH3CO3H +CH3CO 1.632E+005 2.000 19.183 CH3COCH2+CH3CHO >CH3COCH3+CH3CO 1.103E+005 2.000 39.889 HCO +CH3CHO >CH2O +CH2CHO 3.789E+005 2.000 62.916 C3H5 +CH3CHO >C3H6 +CH2CHO 7.220E+004 2.000 76.474 H2CCCH +CH3CHO >C3H4 +CH2CHO 8.101E+004 2.000 77.463 C2JC*C +CH3CHO >C2C*C +CH2CHO 1.020E+005 2.000 76.474 CJ*CC +CH3CHO >C3H6 +CH2CHO 8.101E+004 2.000 32.107 I-C4H7 +CH3CHO >C4H8 +CH2CHO 1.020E+005 2.000 76.474 C*CCCJ +CH3CHO >C4H8 +CH2CHO 4.060E+004 2.000 39.882 CH2OH +CH3CHO >CH3OH +CH2CHO 8.483E+004 2.000 51.814 HCCO +CH3CHO >CH2CO +CH2CHO 1.284E+005 2.000 35.595 CH3CO +CH3CHO >CH3CHO +CH2CHO 4.060E+005 2.000 70.452 CH3O +CH3CHO >CH3OH +CH2CHO 1.284E+005 2.000 15.972 CH2CHO +CH3CHO >CH3CHO +CH2CHO 6.895E+004 2.000 60.816 C6H5 +CH3CHO >C6H6 +CH2CHO 4.060E+004 2.000 10.474 furanJ1 +CH3CHO >furan +CH2CHO 2.035E+005 2.000 29.422 HCO3 +CH3CHO >HCO3H +CH2CHO 1.020E+005 2.000 37.788 CH3CO3 +CH3CHO >CH3CO3H +CH2CHO 1.020E+005 2.000 37.788 CH3COCH2+CH3CHO >CH3COCH3+CH2CHO 6.895E+004 2.000 60.816 HCO +C3H4P >CH2O +H2CCCH 7.578E+006 2.000 82.023 C3H5 +C3H4P >C3H6 +H2CCCH 1.444E+006 2.000 97.061 H2CCCH +C3H4P >C3H4 +H2CCCH 1.620E+006 2.000 99.838 C2JC*C +C3H4P >C2C*C +H2CCCH 2.040E+006 2.000 97.061 I-C4H7 +C3H4P >C4H8 +H2CCCH 2.040E+006 2.000 97.061 C*CCCJ +C3H4P >C4H8 +H2CCCH 8.120E+005 2.000 57.885 CH2OH +C3H4P >CH3OH +H2CCCH 1.697E+006 2.000 71.004 HCCO +C3H4P >CH2CO +H2CCCH 2.568E+006 2.000 54.094 CH3CO +C3H4P >CH3CHO +H2CCCH 8.120E+006 2.000 90.167 CH3O +C3H4P >CH3OH +H2CCCH 2.568E+006 2.000 30.754 CH2CHO +C3H4P >CH3CHO +H2CCCH 1.379E+006 2.000 80.813 C6H5 +C3H4P >C6H6 +H2CCCH 8.120E+005 2.000 25.402 furanJ1 +C3H4P >furan +H2CCCH 4.070E+006 2.000 45.244 HCO3 +C3H4P >HCO3H +H2CCCH 2.040E+006 2.000 55.566 CH3CO3 +C3H4P >CH3CO3H +H2CCCH 2.040E+006 2.000 55.566 CH3COCH2+C3H4P >CH3COCH3+H2CCCH 1.379E+006 2.000 80.813 HCO +C3H4 >CH2O +H2CCCH 7.578E+006 2.000 82.023 H2CCCH +C3H4 >C3H4 +H2CCCH 1.620E+006 2.000 99.838 C2JC*C +C3H4 >C2C*C +H2CCCH 2.040E+006 2.000 97.061 I-C4H7 +C3H4 >C4H8 +H2CCCH 2.040E+006 2.000 97.061 C*CCCJ +C3H4 >C4H8 +H2CCCH 8.120E+005 2.000 57.885 CH2OH +C3H4 >CH3OH +H2CCCH 1.697E+006 2.000 71.004 HCCO +C3H4 >CH2CO +H2CCCH 2.568E+006 2.000 54.094 CH3CO +C3H4 >CH3CHO +H2CCCH 8.120E+006 2.000 90.167 CH3O +C3H4 >CH3OH +H2CCCH 2.568E+006 2.000 30.754 CH2CHO +C3H4 >CH3CHO +H2CCCH 1.379E+006 2.000 80.813 C6H5 +C3H4 >C6H6 +H2CCCH 8.120E+005 2.000 25.402 furanJ1 +C3H4 >furan +H2CCCH 4.070E+006 2.000 45.244 HCO3 +C3H4 >HCO3H +H2CCCH 2.040E+006 2.000 55.566 CH3CO3 +C3H4 >CH3CO3H +H2CCCH 2.040E+006 2.000 55.566 CH3COCH2+C3H4 >CH3COCH3+H2CCCH 1.379E+006 2.000 80.813 HCO +CH2CO >CH2O +HCCO 1.263E+006 2.000 86.079 C3H5 +CH2CO >C3H6 +HCCO 2.407E+005 2.000 99.585 H2CCCH +CH2CO >C3H4 +HCCO 2.700E+005 2.000 95.962 C2JC*C +CH2CO >C2C*C +HCCO 3.399E+005 2.000 99.585 CJ*CC +CH2CO >C3H6 +HCCO 2.700E+005 2.000 46.524 I-C4H7 +CH2CO >C4H8 +HCCO 3.399E+005 2.000 99.585 C*CCCJ +CH2CO >C4H8 +HCCO 1.353E+005 2.000 57.885 CH2OH +CH2CO >CH3OH +HCCO 2.828E+005 2.000 71.004 HCCO +CH2CO >CH2CO +HCCO 4.280E+005 2.000 50.219 CH3CO +CH2CO >CH3CHO +HCCO 1.353E+006 2.000 94.223 CH3O +CH2CO >CH3OH +HCCO 4.280E+005 2.000 31.655 CH2CHO +CH2CO >CH3CHO +HCCO 2.298E+005 2.000 80.813 C6H5 +CH2CO >C6H6 +HCCO 1.353E+005 2.000 21.527 furanJ1 +CH2CO >furan +HCCO 6.783E+005 2.000 49.300 HCO3 +CH2CO >HCO3H +HCCO 3.399E+005 2.000 55.566 CH3CO3 +CH2CO >CH3CO3H +HCCO 3.399E+005 2.000 55.566 CH3COCH2+CH2CO >CH3COCH3+HCCO 2.298E+005 2.000 80.813 C3H5 +C6H6 >C3H6 +C6H5 2.888E+005 2.000 101.910 H2CCCH +C6H6 >C3H4 +C6H5 3.240E+005 2.000 92.391 C2JC*C +C6H6 >C2C*C +C6H5 4.079E+005 2.000 101.910 CJ*CC +C6H6 >C3H6 +C6H5 3.240E+005 2.000 43.202 I-C4H7 +C6H6 >C4H8 +C6H5 4.079E+005 2.000 101.910 C*CCCJ +C6H6 >C4H8 +C6H5 1.624E+005 2.000 57.885 CH2OH +C6H6 >CH3OH +C6H5 3.393E+005 2.000 71.004 HCCO +C6H6 >CH2CO +C6H5 5.136E+005 2.000 46.647 CH3CO +C6H6 >CH3CHO +C6H5 1.624E+006 2.000 97.960 CH3O +C6H6 >CH3OH +C6H5 5.136E+005 2.000 32.486 CH2CHO +C6H6 >CH3CHO +C6H5 2.758E+005 2.000 80.813 C6H5 +C6H6 >C6H6 +C6H5 1.624E+005 2.000 17.956 furanJ1 +C6H6 >furan +C6H5 8.139E+005 2.000 53.037 HCO3 +C6H6 >HCO3H +C6H5 4.079E+005 2.000 55.566 CH3CO3 +C6H6 >CH3CO3H +C6H5 4.079E+005 2.000 55.566 CH3COCH2+C6H6 >CH3COCH3+C6H5 2.758E+005 2.000 80.813 O2 +C2H4O2 >HO2 +CO +CH2OH 6.815E+006 2.000 159.559 H +C2H4O2 >H2 +CO +CH2OH 8.580E+006 2.000 9.995 OH +C2H4O2 >H2O +CO +CH2OH 1.598E+006 2.000 -14.000 O +C2H4O2 >OH +CO +CH2OH 5.413E+006 2.000 4.582 HO2 +C2H4O2 >H2O2 +CO +CH2OH 2.155E+005 2.000 41.795 HCO +C2H4O2 >CH2O +CO +CH2OH 5.052E+005 2.000 43.705 CH3 +C2H4O2 >CH4 +CO +CH2OH 1.561E+005 2.000 13.648 C2H5 +C2H4O2 >C2H6 +CO +CH2OH 9.193E+004 2.000 24.774 C3H5 +C2H4O2 >C3H6 +CO +CH2OH 9.627E+004 2.000 55.418 IC3H7 +C2H4O2 >C3H8 +CO +CH2OH 5.413E+004 2.000 22.905 C2H3 +C2H4O2 >C2H4 +CO +CH2OH 2.713E+005 2.000 13.648 H2CCCH +C2H4O2 >C3H4 +CO +CH2OH 1.080E+005 2.000 53.298 C2JC*C +C2H4O2 >C2C*C +CO +CH2OH 1.360E+005 2.000 55.418 CJ*CC +C2H4O2 >C3H6 +CO +CH2OH 1.080E+005 2.000 12.549 I-C4H7 +C2H4O2 >C4H8 +CO +CH2OH 1.360E+005 2.000 55.418 NC3H7 +C2H4O2 >C3H8 +CO +CH2OH 5.413E+004 2.000 20.669 C*CCCJ +C2H4O2 >C4H8 +CO +CH2OH 5.413E+004 2.000 21.041 CH2OH +C2H4O2 >CH3OH +CO +CH2OH 1.131E+005 2.000 31.731 HCCO +C2H4O2 >CH2CO +CO +CH2OH 1.712E+005 2.000 15.486 CH3CO +C2H4O2 >CH3CHO +CO +CH2OH 5.413E+005 2.000 50.605 CH3O +C2H4O2 >CH3OH +CO +CH2OH 1.712E+005 2.000 0.677 CH2CHO +C2H4O2 >CH3CHO +CO +CH2OH 9.193E+004 2.000 39.889 C6H5 +C2H4O2 >C6H6 +CO +CH2OH 5.413E+004 2.000 -5.897 CH3OOJ +C2H4O2 >CH3OOH +CO +CH2OH 3.044E+005 2.000 43.705 CCOOJ +C2H4O2 >CCOOH +CO +CH2OH 3.044E+005 2.000 43.705 furanJ1 +C2H4O2 >furan +CO +CH2OH 2.713E+005 2.000 13.648 HCO3 +C2H4O2 >HCO3H +CO +CH2OH 1.360E+005 2.000 19.183 CH3CO3 +C2H4O2 >CH3CO3H +CO +CH2OH 1.360E+005 2.000 19.183 CH3COCH2+C2H4O2 >CH3COCH3+CO +CH2OH 9.193E+004 2.000 39.889 O2 +C2H4O2 >HO2 +C2H2O2 +H 1.704E+006 2.000 170.497 H +C2H4O2 >H2 +C2H2O2 +H 2.145E+006 2.000 16.540 OH +C2H4O2 >H2O +C2H2O2 +H 3.994E+005 2.000 -9.461 O +C2H4O2 >OH +C2H2O2 +H 1.353E+006 2.000 10.800 HO2 +C2H4O2 >H2O2 +C2H2O2 +H 5.388E+004 2.000 49.771 HCO +C2H4O2 >CH2O +C2H2O2 +H 1.263E+005 2.000 51.751 CH3 +C2H4O2 >CH4 +C2H2O2 +H 3.903E+004 2.000 20.395 C2H5 +C2H4O2 >C2H6 +C2H2O2 +H 2.298E+004 2.000 32.063 C3H5 +C2H4O2 >C3H6 +C2H2O2 +H 2.407E+004 2.000 63.863 IC3H7 +C2H4O2 >C3H8 +C2H2O2 +H 1.353E+004 2.000 30.109 C2H3 +C2H4O2 >C2H4 +C2H2O2 +H 6.783E+004 2.000 20.395 H2CCCH +C2H4O2 >C3H4 +C2H2O2 +H 2.700E+004 2.000 61.674 C2JC*C +C2H4O2 >C2C*C +C2H2O2 +H 3.399E+004 2.000 63.863 CJ*CC +C2H4O2 >C3H6 +C2H2O2 +H 2.700E+004 2.000 19.237 I-C4H7 +C2H4O2 >C4H8 +C2H2O2 +H 3.399E+004 2.000 63.863 NC3H7 +C2H4O2 >C3H8 +C2H2O2 +H 1.353E+004 2.000 27.769 C*CCCJ +C2H4O2 >C4H8 +C2H2O2 +H 1.353E+004 2.000 28.159 CH2OH +C2H4O2 >CH3OH +C2H2O2 +H 2.828E+004 2.000 39.318 HCCO +C2H4O2 >CH2CO +C2H2O2 +H 4.280E+004 2.000 22.330 CH3CO +C2H4O2 >CH3CHO +C2H2O2 +H 1.353E+005 2.000 58.891 CH3O +C2H4O2 >CH3OH +C2H2O2 +H 4.280E+004 2.000 6.630 CH2CHO +C2H4O2 >CH3CHO +C2H2O2 +H 2.298E+004 2.000 47.794 C6H5 +C2H4O2 >C6H6 +C2H2O2 +H 1.353E+004 2.000 -0.466 CH3OOJ +C2H4O2 >CH3OOH +C2H2O2 +H 7.610E+004 2.000 51.751 CCOOJ +C2H4O2 >CCOOH +C2H2O2 +H 7.610E+004 2.000 51.751 furanJ1 +C2H4O2 >furan +C2H2O2 +H 6.783E+004 2.000 20.395 HCO3 +C2H4O2 >HCO3H +C2H2O2 +H 3.399E+004 2.000 26.212 CH3CO3 +C2H4O2 >CH3CO3H +C2H2O2 +H 3.399E+004 2.000 26.212 CH3COCH2+C2H4O2 >CH3COCH3+C2H2O2 +H 2.298E+004 2.000 47.794 O2 +C2H2O2 >HO2 +CO +HCO 1.363E+007 2.000 159.559 H +C2H2O2 >H2 +CO +HCO 1.716E+007 2.000 9.995 OH +C2H2O2 >H2O +CO +HCO 3.195E+006 2.000 -14.000 O +C2H2O2 >OH +CO +HCO 1.083E+007 2.000 4.582 HO2 +C2H2O2 >H2O2 +CO +HCO 4.310E+005 2.000 41.795 HCO +C2H2O2 >CH2O +CO +HCO 1.010E+006 2.000 43.705 CH3 +C2H2O2 >CH4 +CO +HCO 3.122E+005 2.000 13.648 C2H5 +C2H2O2 >C2H6 +CO +HCO 1.839E+005 2.000 24.774 C3H5 +C2H2O2 >C3H6 +CO +HCO 1.925E+005 2.000 55.418 IC3H7 +C2H2O2 >C3H8 +CO +HCO 1.083E+005 2.000 22.905 C2H3 +C2H2O2 >C2H4 +CO +HCO 5.426E+005 2.000 13.648 H2CCCH +C2H2O2 >C3H4 +CO +HCO 2.160E+005 2.000 53.298 C2JC*C +C2H2O2 >C2C*C +CO +HCO 2.720E+005 2.000 55.418 CJ*CC +C2H2O2 >C3H6 +CO +HCO 2.160E+005 2.000 12.549 I-C4H7 +C2H2O2 >C4H8 +CO +HCO 2.720E+005 2.000 55.418 NC3H7 +C2H2O2 >C3H8 +CO +HCO 1.083E+005 2.000 20.669 C*CCCJ +C2H2O2 >C4H8 +CO +HCO 1.083E+005 2.000 21.041 CH2OH +C2H2O2 >CH3OH +CO +HCO 2.262E+005 2.000 31.731 HCCO +C2H2O2 >CH2CO +CO +HCO 3.424E+005 2.000 15.486 CH3CO +C2H2O2 >CH3CHO +CO +HCO 1.083E+006 2.000 50.605 CH3O +C2H2O2 >CH3OH +CO +HCO 3.424E+005 2.000 0.677 CH2CHO +C2H2O2 >CH3CHO +CO +HCO 1.839E+005 2.000 39.889 C6H5 +C2H2O2 >C6H6 +CO +HCO 1.083E+005 2.000 -5.897 CH3OOJ +C2H2O2 >CH3OOH +CO +HCO 6.088E+005 2.000 43.705 CCOOJ +C2H2O2 >CCOOH +CO +HCO 6.088E+005 2.000 43.705 furanJ1 +C2H2O2 >furan +CO +HCO 5.426E+005 2.000 13.648 HCO3 +C2H2O2 >HCO3H +CO +HCO 2.720E+005 2.000 19.183 CH3CO3 +C2H2O2 >CH3CO3H +CO +HCO 2.720E+005 2.000 19.183 CH3COCH2+C2H2O2 >CH3COCH3+CO +HCO 1.839E+005 2.000 39.889 O2 +NC3H7OH >HO2 +C2H4 +CH2OH 5.111E+006 2.000 188.513 H +NC3H7OH >H2 +C2H4 +CH2OH 6.435E+006 2.000 27.321 OH +NC3H7OH >H2O +C2H4 +CH2OH 1.198E+006 2.000 -1.986 O +NC3H7OH >OH +C2H4 +CH2OH 4.060E+006 2.000 21.041 HO2 +NC3H7OH >H2O2 +C2H4 +CH2OH 1.616E+005 2.000 62.909 HCO +NC3H7OH >CH2O +C2H4 +CH2OH 3.789E+005 2.000 65.003 CH3 +NC3H7OH >CH4 +C2H4 +CH2OH 1.171E+005 2.000 31.508 C2H5 +NC3H7OH >C2H6 +C2H4 +CH2OH 6.895E+004 2.000 44.069 C3H5 +NC3H7OH >C3H6 +C2H4 +CH2OH 7.220E+004 2.000 77.772 IC3H7 +NC3H7OH >C3H8 +C2H4 +CH2OH 4.060E+004 2.000 41.975 C2H3 +NC3H7OH >C2H4 +C2H4 +CH2OH 2.035E+005 2.000 31.508 H2CCCH +NC3H7OH >C3H4 +C2H4 +CH2OH 8.101E+004 2.000 75.470 C2JC*C +NC3H7OH >C2C*C +C2H4 +CH2OH 1.020E+005 2.000 77.772 CJ*CC +NC3H7OH >C3H6 +C2H4 +CH2OH 8.101E+004 2.000 30.252 I-C4H7 +NC3H7OH >C4H8 +C2H4 +CH2OH 1.020E+005 2.000 77.772 NC3H7 +NC3H7OH >C3H8 +C2H4 +CH2OH 4.060E+004 2.000 39.463 C*CCCJ +NC3H7OH >C4H8 +C2H4 +CH2OH 4.060E+004 2.000 39.882 CH2OH +NC3H7OH >CH3OH +C2H4 +CH2OH 8.483E+004 2.000 51.814 HCCO +NC3H7OH >CH2CO +C2H4 +CH2OH 1.284E+005 2.000 33.601 CH3CO +NC3H7OH >CH3CHO +C2H4 +CH2OH 4.060E+005 2.000 72.539 CH3O +NC3H7OH >CH3OH +C2H4 +CH2OH 1.284E+005 2.000 16.436 CH2CHO +NC3H7OH >CH3CHO +C2H4 +CH2OH 6.895E+004 2.000 60.816 C6H5 +NC3H7OH >C6H6 +C2H4 +CH2OH 4.060E+004 2.000 8.481 CH3OOJ +NC3H7OH >CH3OOH +C2H4 +CH2OH 2.283E+005 2.000 65.003 CCOOJ +NC3H7OH >CCOOH +C2H4 +CH2OH 2.283E+005 2.000 65.003 furanJ1 +NC3H7OH >furan +C2H4 +CH2OH 2.035E+005 2.000 31.508 HCO3 +NC3H7OH >HCO3H +C2H4 +CH2OH 1.020E+005 2.000 37.788 CH3CO3 +NC3H7OH >CH3CO3H +C2H4 +CH2OH 1.020E+005 2.000 37.788 CH3COCH2+NC3H7OH >CH3COCH3+C2H4 +CH2OH 6.895E+004 2.000 60.816 O2 +NC3H7OH >HO2 +CH2O +C2H5 1.704E+006 2.000 188.513 H +NC3H7OH >H2 +CH2O +C2H5 2.145E+006 2.000 27.321 OH +NC3H7OH >H2O +CH2O +C2H5 3.994E+005 2.000 -1.986 O +NC3H7OH >OH +CH2O +C2H5 1.353E+006 2.000 21.041 HO2 +NC3H7OH >H2O2 +CH2O +C2H5 5.388E+004 2.000 62.909 HCO +NC3H7OH >CH2O +CH2O +C2H5 1.263E+005 2.000 65.003 CH3 +NC3H7OH >CH4 +CH2O +C2H5 3.903E+004 2.000 31.508 C2H5 +NC3H7OH >C2H6 +CH2O +C2H5 2.298E+004 2.000 44.069 C3H5 +NC3H7OH >C3H6 +CH2O +C2H5 2.407E+004 2.000 77.772 IC3H7 +NC3H7OH >C3H8 +CH2O +C2H5 1.353E+004 2.000 41.975 C2H3 +NC3H7OH >C2H4 +CH2O +C2H5 6.783E+004 2.000 31.508 H2CCCH +NC3H7OH >C3H4 +CH2O +C2H5 2.700E+004 2.000 75.470 C2JC*C +NC3H7OH >C2C*C +CH2O +C2H5 3.399E+004 2.000 77.772 CJ*CC +NC3H7OH >C3H6 +CH2O +C2H5 2.700E+004 2.000 30.252 I-C4H7 +NC3H7OH >C4H8 +CH2O +C2H5 3.399E+004 2.000 77.772 NC3H7 +NC3H7OH >C3H8 +CH2O +C2H5 1.353E+004 2.000 39.463 C*CCCJ +NC3H7OH >C4H8 +CH2O +C2H5 1.353E+004 2.000 39.882 CH2OH +NC3H7OH >CH3OH +CH2O +C2H5 2.828E+004 2.000 51.814 HCCO +NC3H7OH >CH2CO +CH2O +C2H5 4.280E+004 2.000 33.601 CH3CO +NC3H7OH >CH3CHO +CH2O +C2H5 1.353E+005 2.000 72.539 CH3O +NC3H7OH >CH3OH +CH2O +C2H5 4.280E+004 2.000 16.436 CH2CHO +NC3H7OH >CH3CHO +CH2O +C2H5 2.298E+004 2.000 60.816 C6H5 +NC3H7OH >C6H6 +CH2O +C2H5 1.353E+004 2.000 8.481 CH3OOJ +NC3H7OH >CH3OOH +CH2O +C2H5 7.610E+004 2.000 65.003 CCOOJ +NC3H7OH >CCOOH +CH2O +C2H5 7.610E+004 2.000 65.003 furanJ1 +NC3H7OH >furan +CH2O +C2H5 6.783E+004 2.000 31.508 HCO3 +NC3H7OH >HCO3H +CH2O +C2H5 3.399E+004 2.000 37.788 CH3CO3 +NC3H7OH >CH3CO3H +CH2O +C2H5 3.399E+004 2.000 37.788 CH3COCH2+NC3H7OH >CH3COCH3+CH2O +C2H5 2.298E+004 2.000 60.816 O2 +C3H6O2 >HO2 +CH2CH2OH+CO 6.815E+006 2.000 159.559 H +C3H6O2 >H2 +CH2CH2OH+CO 8.580E+006 2.000 9.995 OH +C3H6O2 >H2O +CH2CH2OH+CO 1.598E+006 2.000 -14.000 O +C3H6O2 >OH +CH2CH2OH+CO 5.413E+006 2.000 4.582 HO2 +C3H6O2 >H2O2 +CH2CH2OH+CO 2.155E+005 2.000 41.795 HCO +C3H6O2 >CH2O +CH2CH2OH+CO 5.052E+005 2.000 43.705 CH3 +C3H6O2 >CH4 +CH2CH2OH+CO 1.561E+005 2.000 13.648 C2H5 +C3H6O2 >C2H6 +CH2CH2OH+CO 9.193E+004 2.000 24.774 C3H5 +C3H6O2 >C3H6 +CH2CH2OH+CO 9.627E+004 2.000 55.418 IC3H7 +C3H6O2 >C3H8 +CH2CH2OH+CO 5.413E+004 2.000 22.905 C2H3 +C3H6O2 >C2H4 +CH2CH2OH+CO 2.713E+005 2.000 13.648 H2CCCH +C3H6O2 >C3H4 +CH2CH2OH+CO 1.080E+005 2.000 53.298 C2JC*C +C3H6O2 >C2C*C +CH2CH2OH+CO 1.360E+005 2.000 55.418 CJ*CC +C3H6O2 >C3H6 +CH2CH2OH+CO 1.080E+005 2.000 12.549 I-C4H7 +C3H6O2 >C4H8 +CH2CH2OH+CO 1.360E+005 2.000 55.418 NC3H7 +C3H6O2 >C3H8 +CH2CH2OH+CO 5.413E+004 2.000 20.669 C*CCCJ +C3H6O2 >C4H8 +CH2CH2OH+CO 5.413E+004 2.000 21.041 CH2OH +C3H6O2 >CH3OH +CH2CH2OH+CO 1.131E+005 2.000 31.731 HCCO +C3H6O2 >CH2CO +CH2CH2OH+CO 1.712E+005 2.000 15.486 CH3CO +C3H6O2 >CH3CHO +CH2CH2OH+CO 5.413E+005 2.000 50.605 CH3O +C3H6O2 >CH3OH +CH2CH2OH+CO 1.712E+005 2.000 0.677 CH2CHO +C3H6O2 >CH3CHO +CH2CH2OH+CO 9.193E+004 2.000 39.889 C6H5 +C3H6O2 >C6H6 +CH2CH2OH+CO 5.413E+004 2.000 -5.897 CH3OOJ +C3H6O2 >CH3OOH +CH2CH2OH+CO 3.044E+005 2.000 43.705 CCOOJ +C3H6O2 >CCOOH +CH2CH2OH+CO 3.044E+005 2.000 43.705 furanJ1 +C3H6O2 >furan +CH2CH2OH+CO 2.713E+005 2.000 13.648 HCO3 +C3H6O2 >HCO3H +CH2CH2OH+CO 1.360E+005 2.000 19.183 CH3CO3 +C3H6O2 >CH3CO3H +CH2CH2OH+CO 1.360E+005 2.000 19.183 CH3COCH2+C3H6O2 >CH3COCH3+CH2CH2OH+CO 9.193E+004 2.000 39.889 O2 +C3H6O2 >HO2 +CH2O +CH2CHO 1.704E+006 2.000 188.513 H +C3H6O2 >H2 +CH2O +CH2CHO 2.145E+006 2.000 27.321 OH +C3H6O2 >H2O +CH2O +CH2CHO 3.994E+005 2.000 -1.986 O +C3H6O2 >OH +CH2O +CH2CHO 1.353E+006 2.000 21.041 HO2 +C3H6O2 >H2O2 +CH2O +CH2CHO 5.388E+004 2.000 62.909 HCO +C3H6O2 >CH2O +CH2O +CH2CHO 1.263E+005 2.000 65.003 CH3 +C3H6O2 >CH4 +CH2O +CH2CHO 3.903E+004 2.000 31.508 C2H5 +C3H6O2 >C2H6 +CH2O +CH2CHO 2.298E+004 2.000 44.069 C3H5 +C3H6O2 >C3H6 +CH2O +CH2CHO 2.407E+004 2.000 77.772 IC3H7 +C3H6O2 >C3H8 +CH2O +CH2CHO 1.353E+004 2.000 41.975 C2H3 +C3H6O2 >C2H4 +CH2O +CH2CHO 6.783E+004 2.000 31.508 H2CCCH +C3H6O2 >C3H4 +CH2O +CH2CHO 2.700E+004 2.000 75.470 C2JC*C +C3H6O2 >C2C*C +CH2O +CH2CHO 3.399E+004 2.000 77.772 CJ*CC +C3H6O2 >C3H6 +CH2O +CH2CHO 2.700E+004 2.000 30.252 I-C4H7 +C3H6O2 >C4H8 +CH2O +CH2CHO 3.399E+004 2.000 77.772 NC3H7 +C3H6O2 >C3H8 +CH2O +CH2CHO 1.353E+004 2.000 39.463 C*CCCJ +C3H6O2 >C4H8 +CH2O +CH2CHO 1.353E+004 2.000 39.882 CH2OH +C3H6O2 >CH3OH +CH2O +CH2CHO 2.828E+004 2.000 51.814 HCCO +C3H6O2 >CH2CO +CH2O +CH2CHO 4.280E+004 2.000 33.601 CH3CO +C3H6O2 >CH3CHO +CH2O +CH2CHO 1.353E+005 2.000 72.539 CH3O +C3H6O2 >CH3OH +CH2O +CH2CHO 4.280E+004 2.000 16.436 CH2CHO +C3H6O2 >CH3CHO +CH2O +CH2CHO 2.298E+004 2.000 60.816 C6H5 +C3H6O2 >C6H6 +CH2O +CH2CHO 1.353E+004 2.000 8.481 CH3OOJ +C3H6O2 >CH3OOH +CH2O +CH2CHO 7.610E+004 2.000 65.003 CCOOJ +C3H6O2 >CCOOH +CH2O +CH2CHO 7.610E+004 2.000 65.003 furanJ1 +C3H6O2 >furan +CH2O +CH2CHO 6.783E+004 2.000 31.508 HCO3 +C3H6O2 >HCO3H +CH2O +CH2CHO 3.399E+004 2.000 37.788 CH3CO3 +C3H6O2 >CH3CO3H +CH2O +CH2CHO 3.399E+004 2.000 37.788 CH3COCH2+C3H6O2 >CH3COCH3+CH2O +CH2CHO 2.298E+004 2.000 60.816 O2 +C3H4O2 >HO2 +CO +CH2CHO 1.363E+007 2.000 159.559 H +C3H4O2 >H2 +CO +CH2CHO 1.716E+007 2.000 9.995 OH +C3H4O2 >H2O +CO +CH2CHO 3.195E+006 2.000 -14.000 O +C3H4O2 >OH +CO +CH2CHO 1.083E+007 2.000 4.582 HO2 +C3H4O2 >H2O2 +CO +CH2CHO 4.310E+005 2.000 41.795 HCO +C3H4O2 >CH2O +CO +CH2CHO 1.010E+006 2.000 43.705 CH3 +C3H4O2 >CH4 +CO +CH2CHO 3.122E+005 2.000 13.648 C2H5 +C3H4O2 >C2H6 +CO +CH2CHO 1.839E+005 2.000 24.774 C3H5 +C3H4O2 >C3H6 +CO +CH2CHO 1.925E+005 2.000 55.418 IC3H7 +C3H4O2 >C3H8 +CO +CH2CHO 1.083E+005 2.000 22.905 C2H3 +C3H4O2 >C2H4 +CO +CH2CHO 5.426E+005 2.000 13.648 H2CCCH +C3H4O2 >C3H4 +CO +CH2CHO 2.160E+005 2.000 53.298 C2JC*C +C3H4O2 >C2C*C +CO +CH2CHO 2.720E+005 2.000 55.418 CJ*CC +C3H4O2 >C3H6 +CO +CH2CHO 2.160E+005 2.000 12.549 I-C4H7 +C3H4O2 >C4H8 +CO +CH2CHO 2.720E+005 2.000 55.418 NC3H7 +C3H4O2 >C3H8 +CO +CH2CHO 1.083E+005 2.000 20.669 C*CCCJ +C3H4O2 >C4H8 +CO +CH2CHO 1.083E+005 2.000 21.041 CH2OH +C3H4O2 >CH3OH +CO +CH2CHO 2.262E+005 2.000 31.731 HCCO +C3H4O2 >CH2CO +CO +CH2CHO 3.424E+005 2.000 15.486 CH3CO +C3H4O2 >CH3CHO +CO +CH2CHO 1.083E+006 2.000 50.605 CH3O +C3H4O2 >CH3OH +CO +CH2CHO 3.424E+005 2.000 0.677 CH2CHO +C3H4O2 >CH3CHO +CO +CH2CHO 1.839E+005 2.000 39.889 C6H5 +C3H4O2 >C6H6 +CO +CH2CHO 1.083E+005 2.000 -5.897 CH3OOJ +C3H4O2 >CH3OOH +CO +CH2CHO 6.088E+005 2.000 43.705 CCOOJ +C3H4O2 >CCOOH +CO +CH2CHO 6.088E+005 2.000 43.705 furanJ1 +C3H4O2 >furan +CO +CH2CHO 5.426E+005 2.000 13.648 HCO3 +C3H4O2 >HCO3H +CO +CH2CHO 2.720E+005 2.000 19.183 CH3CO3 +C3H4O2 >CH3CO3H +CO +CH2CHO 2.720E+005 2.000 19.183 CH3COCH2+C3H4O2 >CH3COCH3+CO +CH2CHO 1.839E+005 2.000 39.889 O2 +C4H6O2 >HO2 +CH3CO +CH2CO 1.022E+007 2.000 188.513 H +C4H6O2 >H2 +CH3CO +CH2CO 1.287E+007 2.000 27.321 OH +C4H6O2 >H2O +CH3CO +CH2CO 2.396E+006 2.000 -1.986 O +C4H6O2 >OH +CH3CO +CH2CO 8.120E+006 2.000 21.041 HO2 +C4H6O2 >H2O2 +CH3CO +CH2CO 3.233E+005 2.000 62.909 HCO +C4H6O2 >CH2O +CH3CO +CH2CO 7.578E+005 2.000 65.003 CH3 +C4H6O2 >CH4 +CH3CO +CH2CO 2.342E+005 2.000 31.508 C2H5 +C4H6O2 >C2H6 +CH3CO +CH2CO 1.379E+005 2.000 44.069 C3H5 +C4H6O2 >C3H6 +CH3CO +CH2CO 1.444E+005 2.000 77.772 IC3H7 +C4H6O2 >C3H8 +CH3CO +CH2CO 8.120E+004 2.000 41.975 C2H3 +C4H6O2 >C2H4 +CH3CO +CH2CO 4.070E+005 2.000 31.508 H2CCCH +C4H6O2 >C3H4 +CH3CO +CH2CO 1.620E+005 2.000 75.470 C2JC*C +C4H6O2 >C2C*C +CH3CO +CH2CO 2.040E+005 2.000 77.772 CJ*CC +C4H6O2 >C3H6 +CH3CO +CH2CO 1.620E+005 2.000 30.252 I-C4H7 +C4H6O2 >C4H8 +CH3CO +CH2CO 2.040E+005 2.000 77.772 NC3H7 +C4H6O2 >C3H8 +CH3CO +CH2CO 8.120E+004 2.000 39.463 C*CCCJ +C4H6O2 >C4H8 +CH3CO +CH2CO 8.120E+004 2.000 39.882 CH2OH +C4H6O2 >CH3OH +CH3CO +CH2CO 1.697E+005 2.000 51.814 HCCO +C4H6O2 >CH2CO +CH3CO +CH2CO 2.568E+005 2.000 33.601 CH3CO +C4H6O2 >CH3CHO +CH3CO +CH2CO 8.120E+005 2.000 72.539 CH3O +C4H6O2 >CH3OH +CH3CO +CH2CO 2.568E+005 2.000 16.436 CH2CHO +C4H6O2 >CH3CHO +CH3CO +CH2CO 1.379E+005 2.000 60.816 C6H5 +C4H6O2 >C6H6 +CH3CO +CH2CO 8.120E+004 2.000 8.481 CH3OOJ +C4H6O2 >CH3OOH +CH3CO +CH2CO 4.566E+005 2.000 65.003 CCOOJ +C4H6O2 >CCOOH +CH3CO +CH2CO 4.566E+005 2.000 65.003 furanJ1 +C4H6O2 >furan +CH3CO +CH2CO 4.070E+005 2.000 31.508 HCO3 +C4H6O2 >HCO3H +CH3CO +CH2CO 2.040E+005 2.000 37.788 CH3CO3 +C4H6O2 >CH3CO3H +CH3CO +CH2CO 2.040E+005 2.000 37.788 CH3COCH2+C4H6O2 >CH3COCH3+CH3CO +CH2CO 1.379E+005 2.000 60.816 O2 +fural >HO2 +furanJ1 +CO 6.815E+006 2.000 159.559 H +fural >H2 +furanJ1 +CO 8.580E+006 2.000 9.995 OH +fural >H2O +furanJ1 +CO 1.598E+006 2.000 -14.000 O +fural >OH +furanJ1 +CO 5.413E+006 2.000 4.582 HO2 +fural >H2O2 +furanJ1 +CO 2.155E+005 2.000 41.795 HCO +fural >CH2O +furanJ1 +CO 5.052E+005 2.000 43.705 CH3 +fural >CH4 +furanJ1 +CO 1.561E+005 2.000 13.648 C2H5 +fural >C2H6 +furanJ1 +CO 9.193E+004 2.000 24.774 C3H5 +fural >C3H6 +furanJ1 +CO 9.627E+004 2.000 55.418 IC3H7 +fural >C3H8 +furanJ1 +CO 5.413E+004 2.000 22.905 C2H3 +fural >C2H4 +furanJ1 +CO 2.713E+005 2.000 13.648 H2CCCH +fural >C3H4 +furanJ1 +CO 1.080E+005 2.000 53.298 C2JC*C +fural >C2C*C +furanJ1 +CO 1.360E+005 2.000 55.418 CJ*CC +fural >C3H6 +furanJ1 +CO 1.080E+005 2.000 12.549 I-C4H7 +fural >C4H8 +furanJ1 +CO 1.360E+005 2.000 55.418 NC3H7 +fural >C3H8 +furanJ1 +CO 5.413E+004 2.000 20.669 C*CCCJ +fural >C4H8 +furanJ1 +CO 5.413E+004 2.000 21.041 CH2OH +fural >CH3OH +furanJ1 +CO 1.131E+005 2.000 31.731 HCCO +fural >CH2CO +furanJ1 +CO 1.712E+005 2.000 15.486 CH3CO +fural >CH3CHO +furanJ1 +CO 5.413E+005 2.000 50.605 CH3O +fural >CH3OH +furanJ1 +CO 1.712E+005 2.000 0.677 CH2CHO +fural >CH3CHO +furanJ1 +CO 9.193E+004 2.000 39.889 C6H5 +fural >C6H6 +furanJ1 +CO 5.413E+004 2.000 -5.897 CH3OOJ +fural >CH3OOH +furanJ1 +CO 3.044E+005 2.000 43.705 CCOOJ +fural >CCOOH +furanJ1 +CO 3.044E+005 2.000 43.705 furanJ1 +fural >furan +furanJ1 +CO 2.713E+005 2.000 13.648 HCO3 +fural >HCO3H +furanJ1 +CO 1.360E+005 2.000 19.183 CH3CO3 +fural >CH3CO3H +furanJ1 +CO 1.360E+005 2.000 19.183 CH3COCH2+fural >CH3COCH3+furanJ1 +CO 9.193E+004 2.000 39.889 O2 +furan >HO2 +furanJ1 5.452E+007 2.000 159.559 OH +furan >H2O +furanJ1 1.278E+007 2.000 -16.135 O +furan >OH +furanJ1 4.331E+007 2.000 4.582 HO2 +furan >H2O2 +furanJ1 1.724E+006 2.000 43.462 HCO +furan >CH2O +furanJ1 4.042E+006 2.000 44.686 C2H5 +furan >C2H6 +furanJ1 7.355E+005 2.000 24.774 C3H5 +furan >C3H6 +furanJ1 7.701E+005 2.000 56.028 IC3H7 +furan >C3H8 +furanJ1 4.331E+005 2.000 23.515 C2H3 +furan >C2H4 +furanJ1 2.171E+006 2.000 12.711 H2CCCH +furan >C3H4 +furanJ1 8.641E+005 2.000 52.361 C2JC*C +furan >C2C*C +furanJ1 1.088E+006 2.000 56.028 CJ*CC +furan >C3H6 +furanJ1 8.641E+005 2.000 11.677 I-C4H7 +furan >C4H8 +furanJ1 1.088E+006 2.000 56.028 NC3H7 +furan >C3H8 +furanJ1 4.331E+005 2.000 20.669 C*CCCJ +furan >C4H8 +furanJ1 4.331E+005 2.000 21.041 CH2OH +furan >CH3OH +furanJ1 9.048E+005 2.000 31.731 HCCO +furan >CH2CO +furanJ1 1.369E+006 2.000 14.549 CH3CO +furan >CH3CHO +furanJ1 4.331E+006 2.000 51.586 CH3O +furan >CH3OH +furanJ1 1.369E+006 2.000 0.895 CH2CHO +furan >CH3CHO +furanJ1 7.355E+005 2.000 39.889 C6H5 +furan >C6H6 +furanJ1 4.331E+005 2.000 -6.834 CH3OOJ +furan >CH3OOH +furanJ1 2.435E+006 2.000 44.315 CCOOJ +furan >CCOOH +furanJ1 2.435E+006 2.000 43.705 furanJ1 +furan >furan +furanJ1 2.171E+006 2.000 14.629 HCO3 +furan >HCO3H +furanJ1 1.088E+006 2.000 19.183 CH3CO3 +furan >CH3CO3H +furanJ1 1.088E+006 2.000 19.183 CH3COCH2+furan >CH3COCH3+furanJ1 7.355E+005 2.000 39.889 O2 +lvgcsn >HO2 +C6H8O4 +OH 8.519E+005 2.000 170.497 H +lvgcsn >H2 +C6H8O4 +OH 1.072E+006 2.000 16.540 OH +lvgcsn >H2O +C6H8O4 +OH 1.997E+005 2.000 -9.461 O +lvgcsn >OH +C6H8O4 +OH 6.767E+005 2.000 10.800 HO2 +lvgcsn >H2O2 +C6H8O4 +OH 2.694E+004 2.000 49.771 HCO +lvgcsn >CH2O +C6H8O4 +OH 6.315E+004 2.000 51.751 CH3 +lvgcsn >CH4 +C6H8O4 +OH 1.952E+004 2.000 20.395 C2H5 +lvgcsn >C2H6 +C6H8O4 +OH 1.149E+004 2.000 32.063 C3H5 +lvgcsn >C3H6 +C6H8O4 +OH 1.203E+004 2.000 63.863 IC3H7 +lvgcsn >C3H8 +C6H8O4 +OH 6.767E+003 2.000 30.109 C2H3 +lvgcsn >C2H4 +C6H8O4 +OH 3.391E+004 2.000 20.395 H2CCCH +lvgcsn >C3H4 +C6H8O4 +OH 1.350E+004 2.000 61.674 C2JC*C +lvgcsn >C2C*C +C6H8O4 +OH 1.700E+004 2.000 63.863 CJ*CC +lvgcsn >C3H6 +C6H8O4 +OH 1.350E+004 2.000 19.237 I-C4H7 +lvgcsn >C4H8 +C6H8O4 +OH 1.700E+004 2.000 63.863 NC3H7 +lvgcsn >C3H8 +C6H8O4 +OH 6.767E+003 2.000 27.769 C*CCCJ +lvgcsn >C4H8 +C6H8O4 +OH 6.767E+003 2.000 28.159 CH2OH +lvgcsn >CH3OH +C6H8O4 +OH 1.414E+004 2.000 39.318 HCCO +lvgcsn >CH2CO +C6H8O4 +OH 2.140E+004 2.000 22.330 CH3CO +lvgcsn >CH3CHO +C6H8O4 +OH 6.767E+004 2.000 58.891 CH3O +lvgcsn >CH3OH +C6H8O4 +OH 2.140E+004 2.000 6.630 CH2CHO +lvgcsn >CH3CHO +C6H8O4 +OH 1.149E+004 2.000 47.794 C6H5 +lvgcsn >C6H6 +C6H8O4 +OH 6.767E+003 2.000 -0.466 CH3OOJ +lvgcsn >CH3OOH +C6H8O4 +OH 3.805E+004 2.000 51.751 CCOOJ +lvgcsn >CCOOH +C6H8O4 +OH 3.805E+004 2.000 51.751 furanJ1 +lvgcsn >furan +C6H8O4 +OH 3.391E+004 2.000 20.395 HCO3 +lvgcsn >HCO3H +C6H8O4 +OH 1.700E+004 2.000 26.212 CH3CO3 +lvgcsn >CH3CO3H +C6H8O4 +OH 1.700E+004 2.000 26.212 CH3COCH2+lvgcsn >CH3COCH3+C6H8O4 +OH 1.149E+004 2.000 47.794 O2 +C6H8O4 >HO2 +C6H6O3 +OH 1.704E+006 2.000 170.497 H +C6H8O4 >H2 +C6H6O3 +OH 2.145E+006 2.000 16.540 OH +C6H8O4 >H2O +C6H6O3 +OH 3.994E+005 2.000 -9.461 O +C6H8O4 >OH +C6H6O3 +OH 1.353E+006 2.000 10.800 HO2 +C6H8O4 >H2O2 +C6H6O3 +OH 5.388E+004 2.000 49.771 HCO +C6H8O4 >CH2O +C6H6O3 +OH 1.263E+005 2.000 51.751 CH3 +C6H8O4 >CH4 +C6H6O3 +OH 3.903E+004 2.000 20.395 C2H5 +C6H8O4 >C2H6 +C6H6O3 +OH 2.298E+004 2.000 32.063 C3H5 +C6H8O4 >C3H6 +C6H6O3 +OH 2.407E+004 2.000 63.863 IC3H7 +C6H8O4 >C3H8 +C6H6O3 +OH 1.353E+004 2.000 30.109 C2H3 +C6H8O4 >C2H4 +C6H6O3 +OH 6.783E+004 2.000 20.395 H2CCCH +C6H8O4 >C3H4 +C6H6O3 +OH 2.700E+004 2.000 61.674 C2JC*C +C6H8O4 >C2C*C +C6H6O3 +OH 3.399E+004 2.000 63.863 CJ*CC +C6H8O4 >C3H6 +C6H6O3 +OH 2.700E+004 2.000 19.237 I-C4H7 +C6H8O4 >C4H8 +C6H6O3 +OH 3.399E+004 2.000 63.863 NC3H7 +C6H8O4 >C3H8 +C6H6O3 +OH 1.353E+004 2.000 27.769 C*CCCJ +C6H8O4 >C4H8 +C6H6O3 +OH 1.353E+004 2.000 28.159 CH2OH +C6H8O4 >CH3OH +C6H6O3 +OH 2.828E+004 2.000 39.318 HCCO +C6H8O4 >CH2CO +C6H6O3 +OH 4.280E+004 2.000 22.330 CH3CO +C6H8O4 >CH3CHO +C6H6O3 +OH 1.353E+005 2.000 58.891 CH3O +C6H8O4 >CH3OH +C6H6O3 +OH 4.280E+004 2.000 6.630 CH2CHO +C6H8O4 >CH3CHO +C6H6O3 +OH 2.298E+004 2.000 47.794 C6H5 +C6H8O4 >C6H6 +C6H6O3 +OH 1.353E+004 2.000 -0.466 CH3OOJ +C6H8O4 >CH3OOH +C6H6O3 +OH 7.610E+004 2.000 51.751 CCOOJ +C6H8O4 >CCOOH +C6H6O3 +OH 7.610E+004 2.000 51.751 furanJ1 +C6H8O4 >furan +C6H6O3 +OH 6.783E+004 2.000 20.395 HCO3 +C6H8O4 >HCO3H +C6H6O3 +OH 3.399E+004 2.000 26.212 CH3CO3 +C6H8O4 >CH3CO3H +C6H6O3 +OH 3.399E+004 2.000 26.212 CH3COCH2+C6H8O4 >CH3COCH3+C6H6O3 +OH 2.298E+004 2.000 47.794 H +MTBE >H2 +RMTBE 3.217E+007 2.000 27.321 OH +MTBE >H2O +RMTBE 5.991E+006 2.000 -1.986 O +MTBE >OH +RMTBE 2.030E+007 2.000 21.041 HO2 +MTBE >H2O2 +RMTBE 8.082E+005 2.000 62.909 HCO +MTBE >CH2O +RMTBE 1.895E+006 2.000 65.003 CH3 +MTBE >CH4 +RMTBE 5.855E+005 2.000 31.508 C2H5 +MTBE >C2H6 +RMTBE 3.447E+005 2.000 44.069 C3H5 +MTBE >C3H6 +RMTBE 3.610E+005 2.000 77.772 IC3H7 +MTBE >C3H8 +RMTBE 2.030E+005 2.000 41.975 C2H3 +MTBE >C2H4 +RMTBE 1.017E+006 2.000 31.508 H2CCCH +MTBE >C3H4 +RMTBE 4.050E+005 2.000 75.470 C2JC*C +MTBE >C2C*C +RMTBE 5.099E+005 2.000 77.772 CJ*CC +MTBE >C3H6 +RMTBE 4.050E+005 2.000 30.252 I-C4H7 +MTBE >C4H8 +RMTBE 5.099E+005 2.000 77.772 NC3H7 +MTBE >C3H8 +RMTBE 2.030E+005 2.000 39.463 C*CCCJ +MTBE >C4H8 +RMTBE 2.030E+005 2.000 39.882 CH2OH +MTBE >CH3OH +RMTBE 4.241E+005 2.000 51.814 HCCO +MTBE >CH2CO +RMTBE 6.420E+005 2.000 33.601 CH3CO +MTBE >CH3CHO +RMTBE 2.030E+006 2.000 72.539 CH3O +MTBE >CH3OH +RMTBE 6.420E+005 2.000 16.436 CH2CHO +MTBE >CH3CHO +RMTBE 3.447E+005 2.000 60.816 C6H5 +MTBE >C6H6 +RMTBE 2.030E+005 2.000 8.481 CH3OOJ +MTBE >CH3OOH +RMTBE 1.142E+006 2.000 65.003 CCOOJ +MTBE >CCOOH +RMTBE 1.142E+006 2.000 65.003 furanJ1 +MTBE >furan +RMTBE 1.017E+006 2.000 31.508 HCO3 +MTBE >HCO3H +RMTBE 5.099E+005 2.000 37.788 CH3CO3 +MTBE >CH3CO3H +RMTBE 5.099E+005 2.000 37.788 CH3COCH2+MTBE >CH3COCH3+RMTBE 3.447E+005 2.000 60.816 H +DIPE >H2 +RDIPE 6.435E+007 2.000 27.321 OH +DIPE >H2O +RDIPE 1.198E+007 2.000 -1.986 O +DIPE >OH +RDIPE 4.060E+007 2.000 21.041 HO2 +DIPE >H2O2 +RDIPE 1.616E+006 2.000 62.909 HCO +DIPE >CH2O +RDIPE 3.789E+006 2.000 65.003 CH3 +DIPE >CH4 +RDIPE 1.171E+006 2.000 31.508 C2H5 +DIPE >C2H6 +RDIPE 6.895E+005 2.000 44.069 C3H5 +DIPE >C3H6 +RDIPE 7.220E+005 2.000 77.772 IC3H7 +DIPE >C3H8 +RDIPE 4.060E+005 2.000 41.975 C2H3 +DIPE >C2H4 +RDIPE 2.035E+006 2.000 31.508 H2CCCH +DIPE >C3H4 +RDIPE 8.101E+005 2.000 75.470 C2JC*C +DIPE >C2C*C +RDIPE 1.020E+006 2.000 77.772 CJ*CC +DIPE >C3H6 +RDIPE 8.101E+005 2.000 30.252 I-C4H7 +DIPE >C4H8 +RDIPE 1.020E+006 2.000 77.772 NC3H7 +DIPE >C3H8 +RDIPE 4.060E+005 2.000 39.463 C*CCCJ +DIPE >C4H8 +RDIPE 4.060E+005 2.000 39.882 CH2OH +DIPE >CH3OH +RDIPE 8.483E+005 2.000 51.814 HCCO +DIPE >CH2CO +RDIPE 1.284E+006 2.000 33.601 CH3CO +DIPE >CH3CHO +RDIPE 4.060E+006 2.000 72.539 CH3O +DIPE >CH3OH +RDIPE 1.284E+006 2.000 16.436 CH2CHO +DIPE >CH3CHO +RDIPE 6.895E+005 2.000 60.816 C6H5 +DIPE >C6H6 +RDIPE 4.060E+005 2.000 8.481 CH3OOJ +DIPE >CH3OOH +RDIPE 2.283E+006 2.000 65.003 CCOOJ +DIPE >CCOOH +RDIPE 2.283E+006 2.000 65.003 furanJ1 +DIPE >furan +RDIPE 2.035E+006 2.000 31.508 HCO3 +DIPE >HCO3H +RDIPE 1.020E+006 2.000 37.788 CH3CO3 +DIPE >CH3CO3H +RDIPE 1.020E+006 2.000 37.788 CH3COCH2+DIPE >CH3COCH3+RDIPE 6.895E+005 2.000 60.816 O2 +C6H5OH >HO2 +C6H5O 8.519E+006 2.000 188.513 HCO +C6H5OH >CH2O +C6H5O 6.315E+005 2.000 65.003 CH3 +C6H5OH >CH4 +C6H5O 1.952E+005 2.000 31.508 C2H5 +C6H5OH >C2H6 +C6H5O 1.149E+005 2.000 44.069 C3H5 +C6H5OH >C3H6 +C6H5O 1.203E+005 2.000 77.772 IC3H7 +C6H5OH >C3H8 +C6H5O 6.767E+004 2.000 41.975 H2CCCH +C6H5OH >C3H4 +C6H5O 1.350E+005 2.000 75.470 C2JC*C +C6H5OH >C2C*C +C6H5O 1.700E+005 2.000 77.772 CJ*CC +C6H5OH >C3H6 +C6H5O 1.350E+005 2.000 30.252 I-C4H7 +C6H5OH >C4H8 +C6H5O 1.700E+005 2.000 77.772 NC3H7 +C6H5OH >C3H8 +C6H5O 6.767E+004 2.000 39.463 C*CCCJ +C6H5OH >C4H8 +C6H5O 6.767E+004 2.000 39.882 CH2OH +C6H5OH >CH3OH +C6H5O 1.414E+005 2.000 51.814 HCCO +C6H5OH >CH2CO +C6H5O 2.140E+005 2.000 33.601 CH3CO +C6H5OH >CH3CHO +C6H5O 6.767E+005 2.000 72.539 CH3O +C6H5OH >CH3OH +C6H5O 2.140E+005 2.000 16.436 CH2CHO +C6H5OH >CH3CHO +C6H5O 1.149E+005 2.000 60.816 CH3OOJ +C6H5OH >CH3OOH +C6H5O 3.805E+005 2.000 65.003 CCOOJ +C6H5OH >CCOOH +C6H5O 3.805E+005 2.000 65.003 furanJ1 +C6H5OH >furan +C6H5O 3.391E+005 2.000 31.508 HCO3 +C6H5OH >HCO3H +C6H5O 1.700E+005 2.000 37.788 CH3CO3 +C6H5OH >CH3CO3H +C6H5O 1.700E+005 2.000 37.788 CH3COCH2+C6H5OH >CH3COCH3+C6H5O 1.149E+005 2.000 60.816 H +IC3H7OH >H2 +C3H6 +OH 1.544E+007 2.000 27.321 OH +IC3H7OH >H2O +C3H6 +OH 2.876E+006 2.000 -1.986 O +IC3H7OH >OH +C3H6 +OH 9.744E+006 2.000 21.041 HO2 +IC3H7OH >H2O2 +C3H6 +OH 3.879E+005 2.000 62.909 HCO +IC3H7OH >CH2O +C3H6 +OH 9.094E+005 2.000 65.003 CH3 +IC3H7OH >CH4 +C3H6 +OH 2.810E+005 2.000 31.508 C2H5 +IC3H7OH >C2H6 +C3H6 +OH 1.655E+005 2.000 44.069 C3H5 +IC3H7OH >C3H6 +C3H6 +OH 1.733E+005 2.000 77.772 IC3H7 +IC3H7OH >C3H8 +C3H6 +OH 9.744E+004 2.000 41.975 C2H3 +IC3H7OH >C2H4 +C3H6 +OH 4.884E+005 2.000 31.508 H2CCCH +IC3H7OH >C3H4 +C3H6 +OH 1.944E+005 2.000 75.470 C2JC*C +IC3H7OH >C2C*C +C3H6 +OH 2.448E+005 2.000 77.772 CJ*CC +IC3H7OH >C3H6 +C3H6 +OH 1.944E+005 2.000 30.252 I-C4H7 +IC3H7OH >C4H8 +C3H6 +OH 2.448E+005 2.000 77.772 NC3H7 +IC3H7OH >C3H8 +C3H6 +OH 9.744E+004 2.000 39.463 C*CCCJ +IC3H7OH >C4H8 +C3H6 +OH 9.744E+004 2.000 39.882 CH2OH +IC3H7OH >CH3OH +C3H6 +OH 2.036E+005 2.000 51.814 HCCO +IC3H7OH >CH2CO +C3H6 +OH 3.081E+005 2.000 33.601 CH3CO +IC3H7OH >CH3CHO +C3H6 +OH 9.744E+005 2.000 72.539 CH3O +IC3H7OH >CH3OH +C3H6 +OH 3.081E+005 2.000 16.436 CH2CHO +IC3H7OH >CH3CHO +C3H6 +OH 1.655E+005 2.000 60.816 C6H5 +IC3H7OH >C6H6 +C3H6 +OH 9.744E+004 2.000 8.481 CH3OOJ +IC3H7OH >CH3OOH +C3H6 +OH 5.480E+005 2.000 65.003 CCOOJ +IC3H7OH >CCOOH +C3H6 +OH 5.480E+005 2.000 65.003 furanJ1 +IC3H7OH >furan +C3H6 +OH 4.884E+005 2.000 31.508 HCO3 +IC3H7OH >HCO3H +C3H6 +OH 2.448E+005 2.000 37.788 CH3CO3 +IC3H7OH >CH3CO3H +C3H6 +OH 2.448E+005 2.000 37.788 CH3COCH2+IC3H7OH >CH3COCH3+C3H6 +OH 1.655E+005 2.000 60.816 CH3OOJ +CH3OOH >CH3OOH +CH3OOJ 1.522E+005 2.000 50.222 CCOOJ +CH3OOH >CCOOH +CH3OOJ 1.522E+005 2.000 51.751 furanJ1 +CH3OOH >furan +CH3OOJ 1.357E+005 2.000 17.938 HCO3 +CH3OOH >HCO3H +CH3OOJ 6.799E+004 2.000 26.212 CH3CO3 +CH3OOH >CH3CO3H +CH3OOJ 6.799E+004 2.000 26.212 C3H5 +CH3COCH3>C3H6 +CH3COCH2 2.166E+005 2.000 76.474 H2CCCH +CH3COCH3>C3H4 +CH3COCH2 2.430E+005 2.000 77.463 C2JC*C +CH3COCH3>C2C*C +CH3COCH2 3.060E+005 2.000 76.474 CJ*CC +CH3COCH3>C3H6 +CH3COCH2 2.430E+005 2.000 32.107 I-C4H7 +CH3COCH3>C4H8 +CH3COCH2 3.060E+005 2.000 76.474 C*CCCJ +CH3COCH3>C4H8 +CH3COCH2 1.218E+005 2.000 39.882 CH2OH +CH3COCH3>CH3OH +CH3COCH2 2.545E+005 2.000 51.814 HCCO +CH3COCH3>CH2CO +CH3COCH2 3.852E+005 2.000 35.595 CH3CO +CH3COCH3>CH3CHO +CH3COCH2 1.218E+006 2.000 70.452 CH3O +CH3COCH3>CH3OH +CH3COCH2 3.852E+005 2.000 15.972 CH2CHO +CH3COCH3>CH3CHO +CH3COCH2 2.068E+005 2.000 60.816 C6H5 +CH3COCH3>C6H6 +CH3COCH2 1.218E+005 2.000 10.474 furanJ1 +CH3COCH3>furan +CH3COCH2 6.105E+005 2.000 29.422 HCO3 +CH3COCH3>HCO3H +CH3COCH2 3.060E+005 2.000 37.788 CH3CO3 +CH3COCH3>CH3CO3H +CH3COCH2 3.060E+005 2.000 37.788 CH3COCH2+CH3COCH3>CH3COCH3+CH3COCH2 2.068E+005 2.000 60.816 HCO +CH3OCH3 >CH2O +CH3OCH2 1.010E+006 2.000 51.751 C3H5 +CH3OCH3 >C3H6 +CH3OCH2 1.925E+005 2.000 63.863 H2CCCH +CH3OCH3 >C3H4 +CH3OCH2 2.160E+005 2.000 61.674 C2JC*C +CH3OCH3 >C2C*C +CH3OCH2 2.720E+005 2.000 63.863 CJ*CC +CH3OCH3 >C3H6 +CH3OCH2 2.160E+005 2.000 19.237 I-C4H7 +CH3OCH3 >C4H8 +CH3OCH2 2.720E+005 2.000 63.863 C*CCCJ +CH3OCH3 >C4H8 +CH3OCH2 1.083E+005 2.000 28.159 CH2OH +CH3OCH3 >CH3OH +CH3OCH2 2.262E+005 2.000 39.318 HCCO +CH3OCH3 >CH2CO +CH3OCH2 3.424E+005 2.000 22.330 CH3CO +CH3OCH3 >CH3CHO +CH3OCH2 1.083E+006 2.000 58.891 CH3O +CH3OCH3 >CH3OH +CH3OCH2 3.424E+005 2.000 6.630 CH2CHO +CH3OCH3 >CH3CHO +CH3OCH2 1.839E+005 2.000 47.794 C6H5 +CH3OCH3 >C6H6 +CH3OCH2 1.083E+005 2.000 -0.466 furanJ1 +CH3OCH3 >furan +CH3OCH2 5.426E+005 2.000 20.395 HCO3 +CH3OCH3 >HCO3H +CH3OCH2 2.720E+005 2.000 26.212 CH3CO3 +CH3OCH3 >CH3CO3H +CH3OCH2 2.720E+005 2.000 26.212 CH3COCH2+CH3OCH3 >CH3COCH3+CH3OCH2 1.839E+005 2.000 47.794 CH3COOH >CH3 +CO2 +H 2.500E+014 0.000 368.438 O2 +CH3COOH >HO2 +CH2CO +OH 5.111E+006 2.000 188.513 H +CH3COOH >H2 +CH2CO +OH 6.435E+006 2.000 27.321 OH +CH3COOH >H2O +CH2CO +OH 1.198E+006 2.000 -1.986 O +CH3COOH >OH +CH2CO +OH 4.060E+006 2.000 21.041 HO2 +CH3COOH >H2O2 +CH2CO +OH 1.616E+005 2.000 62.909 HCO +CH3COOH >CH2O +CH2CO +OH 3.789E+005 2.000 65.003 CH3 +CH3COOH >CH4 +CH2CO +OH 1.171E+005 2.000 31.508 C2H5 +CH3COOH >C2H6 +CH2CO +OH 6.895E+004 2.000 44.069 C3H5 +CH3COOH >C3H6 +CH2CO +OH 7.220E+004 2.000 77.772 IC3H7 +CH3COOH >C3H8 +CH2CO +OH 4.060E+004 2.000 41.975 C2H3 +CH3COOH >C2H4 +CH2CO +OH 2.035E+005 2.000 31.508 H2CCCH +CH3COOH >C3H4 +CH2CO +OH 8.101E+004 2.000 75.470 C2JC*C +CH3COOH >C2C*C +CH2CO +OH 1.020E+005 2.000 77.772 CJ*CC +CH3COOH >C3H6 +CH2CO +OH 8.101E+004 2.000 30.252 I-C4H7 +CH3COOH >C4H8 +CH2CO +OH 1.020E+005 2.000 77.772 NC3H7 +CH3COOH >C3H8 +CH2CO +OH 4.060E+004 2.000 39.463 C*CCCJ +CH3COOH >C4H8 +CH2CO +OH 4.060E+004 2.000 39.882 CH2OH +CH3COOH >CH3OH +CH2CO +OH 8.483E+004 2.000 51.814 HCCO +CH3COOH >CH2CO +CH2CO +OH 1.284E+005 2.000 33.601 CH3CO +CH3COOH >CH3CHO +CH2CO +OH 4.060E+005 2.000 72.539 CH3O +CH3COOH >CH3OH +CH2CO +OH 1.284E+005 2.000 16.436 CH2CHO +CH3COOH >CH3CHO +CH2CO +OH 6.895E+004 2.000 60.816 C6H5 +CH3COOH >C6H6 +CH2CO +OH 4.060E+004 2.000 8.481 CH3OOJ +CH3COOH >CH3OOH +CH2CO +OH 2.283E+005 2.000 65.003 CCOOJ +CH3COOH >CCOOH +CH2CO +OH 2.283E+005 2.000 65.003 furanJ1 +CH3COOH >furan +CH2CO +OH 2.035E+005 2.000 31.508 HCO3 +CH3COOH >HCO3H +CH2CO +OH 1.020E+005 2.000 37.788 CH3CO3 +CH3COOH >CH3CO3H +CH2CO +OH 1.020E+005 2.000 37.788 CH3COCH2+CH3COOH >CH3COCH3+CH2CO +OH 6.895E+004 2.000 60.816 H +furan >H2 +furanJ1 6.864E+007 2.000 9.700 CH3 +furan >CH4 +furanJ1 1.249E+006 2.000 12.776 ********************************************* ****** Acetic acid reactions ****** From F. Battin-Leclerc et al., Combust.Sci.and Tech.,2008 ********************************************* CH3CO +OH =CH3COOH 1.000E+014 0.0 0.000 CH3COOH =CH4 +CO2 7.080E+013 0.0 312.126 CH3COOH =CH2CO +H2O 4.470E+014 0.0 333.883 CH3COOH +OH =CH3COO +H2O 2.400E+011 0.0 -1.674 ********************************************* ****** Konnov's Mechanism ****** http://homepages.vub.ac.be/~akonnov/science/mechanism/version0_5.html ********************************************* CH3COO +M(5) >CH3 +CO2 +M(5) 8.700E+015 0.000 60.290 ********************************************* ****** Estimated by RMG 09/11/17 ****** 1,3-Butadienal ********************************************* C2H3 +HCCO =C*CC*C*O 7.230E+013 0.00 0.000 !R_Recombination exact: Cd_pri_rad Cd_pri_rad CC*CCJ*O+C4H3O =C*CC*C*O+C*CC*C*O 4.560E+014 -0.70 0.000 !Disproportionation estimate: Cmethyl_Csrad Cd_rad/OneDe H2CCCH +CO =C4H3O 1.510E+011 0.00 20.125 !R_Addition_COm exact: COm Cd_pri_rad CJ*CC +CO =CC*CCJ*O 1.510E+011 0.00 20.125 !R_Addition_COm exact: COm Cd_pri_rad CC*CCJ*O+H =C*CC*C*O+H2 1.083E+013 0.00 0.000 !Disproportionation exact: H_rad Cmethyl_Csrad H +C*CC*C*O=H2 +C4H3O 1.930E+008 1.74 43.012 !H_Abstraction exact: Cd/H/OneDe H_rad C*CC*C*O+H =CC*CCJ*O 3.710E+013 0.00 4.184 !R_Addition_MultipleBond exact: Cd/H2_Cd/H/De H_rad C4H3O +H =C*CC*C*O 5.000E+013 0.00 0.000 !R_Recombination estimate: Cd_rad/OneDe H_rad ********************************************* ****** Estimated by RMG_3.0 09/11/17 ********************************************* C2H4 +HCCO =CJCC*C*O 1.460E+012 0.180 12.490 !R_Addition_MultipleBond estimate: (Average:) Cd/H2_Cd/H2 Y_rad_birad C*CC*C*O+H =CJCC*C*O 2.850E+013 0.000 17.991 !R_Addition_MultipleBond exact: Cd/H/De_Cd/H2 H_rad CJCC*C*O+H =C*CC*C*O+H2 1.140E+013 -0.071 -0.009 !Disproportionation estimate: (Average:) C/H2/De_Csrad H_rad HCCO +CJCC*C*O=CH2CO +C*CC*C*O 1.140E+013 -0.071 -0.009 !Disproportionation estimate: (Average:) Cd_pri_rad C/H2/De_Csrad CJCC*C*O+C2H3 =C*CC*C*O+C2H4 1.140E+013 -0.071 -0.009 !Disproportionation estimate: (Average:) C/H2/De_Csrad Cd_pri_rad C2H3 +CH2CO =C*CCCJ*O 3.285E+007 1.504 30.691 !R_Addition_MultipleBond estimate: (Average:) Cd_pri_rad Cd/H2_Ck C*CC*C*O+H =C*CCCJ*O 1.883E+013 0.000 12.134 !R_Addition_MultipleBond estimate: (Average:) Cd/H/De_Ck H_rad C*CCCJ*O+H =C*CC*C*O+H2 1.140E+013 -0.071 -0.009 !Disproportionation estimate: (Average:) C/H2/De_COrad H_rad C*CCCJ*O+HCCO =C*CC*C*O+CH2CO 1.140E+013 -0.071 -0.009 !Disproportionation estimate: (Average:) C/H2/De_COrad Cd_pri_rad C*CCCJ*O+C2H3 =C*CC*C*O+C2H4 1.140E+013 -0.071 -0.009 !Disproportionation estimate: (Average:) C/H2/De_COrad Cd_pri_rad ********************************************* ****** Estimated by RMG 09/11/20 ********************************************* C*CC*C*O+OH =H2O +C4H3O 1.110E+006 2.00 6.067 !H_Abstraction estimate: (Average:) Cd/H/OneDe O_pri_rad C*CC*C*O+O =C4H3O +OH 6.020E+010 0.70 31.924 !H_Abstraction estimate: (Average:) Cd/H/OneDe O_atom_triplet C2H3 +C*CC*C*O=C2H4 +C4H3O 3.800E-001 0.00 20.878 !H_Abstraction estimate: (Average:) Cd_pri_rad Cd/H/OneDe HO2 +C4H3O =O2 +C*CC*C*O 3.000E+011 0.00 0.000 !Disproportionation estimate: (Average:) O_Orad Cd_rad/OneDe C*CC*C*O+CH3 =C4H3O +CH4 5.780E+013 0.00 67.781 !H_Abstraction exact: Cd/H/OneDe C_methyl CC*CCJ*O+OH =C*CC*C*O+H2O 7.230E+013 0.00 0.000 !Disproportionation exact: O_pri_rad Cmethyl_Csrad CC*CCJ*O+C2H3 =C*CC*C*O+C2H4 4.560E+014 -0.70 0.000 !Disproportionation exact: Cd_pri_rad Cmethyl_Csrad CH3 +CC*CCJ*O=CH4 +C*CC*C*O 2.823E+011 0.68 0.000 !Disproportionation exact: Cmethyl_Csrad C_methyl O +CC*CCJ*O=OH +C*CC*C*O 9.030E+013 0.00 0.000 !Disproportionation estimate: (Average:) O_atom_triplet Cmethyl_Csrad O2 +CC*CCJ*O=HO2 +C*CC*C*O 7.560E+011 0.00 0.000 !Disproportionation_O2d exact: O2d Cmethyl_Csrad ********************************************* ****** Estimated by RMG ********************************************* C*CCCJC +H =C*CC*CC +H2 1.140E+013 -0.071 -0.009 !Disproportionation estimate: (Average:) C/H2/De_Csrad H_rad CH3 +C*CCCJC =CH4 +C*CC*CC 1.140E+013 -0.071 -0.009 !Disproportionation estimate: (Average:) C_methyl C/H2/De_Csrad C*CCCJC +C2H3 =C*CC*CC +C2H4 1.140E+013 -0.071 -0.009 !Disproportionation estimate: (Average:) C/H2/De_Csrad Cd_pri_rad ********************************************* CO +furan =fural 8.083E+007 1.701 346.331 !1,2_Insertion estimate: (Average:) CO_birad Cd/H/NonDeO HCO +furanJ1 =fural 2.487E+015 -0.900 1.046 !R_Recombination estimate: (Average:) CO_pri_rad Cd_rad/NonDe CO +furanJ1 =C5H3O2J 2.043E+011 0.00 22.290 !R_Addition_COm estimate: (Average:) COm Cd_rad/NonDe C5H3O2J +H =fural 5.000E+013 0.00 0.000 !R_Recombination estimate: (Average:) CO_rad/OneDe H_rad fural +H =C5H3O2J +H2 8.070E+007 1.76 2.803 !H_Abstraction estimate: (Average:) CO/H/OneDe H_rad furanJ1 +fural =furan +C5H3O2J 8.130E+010 0.00 15.397 !H_Abstraction estimate: (Average:) Cd_rad/NonDeO CO/H/OneDe HO2 +C5H3O2J =O2 +fural 3.000E+011 0.000 0.000 !Disproportionation estimate: (Average:) O_Orad CO_rad/OneDe fural +HO2 =C5H3O2J +H2O2 5.486E+012 0.000 24.937 !H_Abstraction estimate: (Average:) CO/H/OneDe O_rad/NonDeO fural +O =C5H3O2J +OH 5.000E+012 0.000 7.489 !H_Abstraction estimate: (Average:) CO/H/OneDe O_atom_triplet OH +fural =H2O +C5H3O2J 5.486E+012 0.000 24.937 !H_Abstraction estimate: (Average:) O_pri_rad CO/H/OneDe ********************************************* ***** Estimation by RMG ***** C5H10O2 ********************************************* C2H3 +COCJOC =C5H10O2 2.487E+015 -0.900 1.046 !R_Recombination estimate: Cd_pri_rad C_rad/H/O2 CJC*COC +CH2O =C5H9O2J5 8.258E+011 0.147 10.597 !R_Addition_MultipleBond estimate: C_rad/H/OneDeO OCO CJC*COC +CH3O =C5H10O2 1.499E+013 -0.150 1.220 !R_Recombination estimate: C_rad/H/OneDeO O_rad/NonDe C2H3 +COCHO =C4H7O2J 4.496E+009 0.633 12.022 !R_Addition_MultipleBond estimate: Cd_pri_rad CO/H/Nd_O C*C*COC +CH3O =C5H9O2J2 5.473E+011 0.000 15.100 !R_Addition_MultipleBond estimate: Cd/H/Nd_Ca O_rad/NonDe C5H9O2J2=C5H9O2J5 5.584E+009 0.991 152.199 !intra_H_migration estimate: R4H_SSS Cd_rad_out_double Cs_H_out_2H C5H10O2 +OH =H2O +C5H9O2J5 4.884E+004 2.800 -1.757 !H_Abstraction exact: C/H3/O O_pri_rad HO2 +C5H9O2J5=O2 +C5H10O2 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad C_rad/H2/O C5H9O2J5+H =C5H10O2 5.000E+013 0.000 0.000 !R_Recombination estimate: C_rad/H2/O H_rad C5H10O2 +OH =H2O +C5H9O2J2 1.110E+006 2.000 6.067 !H_Abstraction exact: Cd/H/NonDeC O_pri_rad HO2 +C5H9O2J2=O2 +C5H10O2 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad Cd_rad/NonDeC C5H9O2J2+H =C5H10O2 5.000E+013 0.000 0.000 !R_Recombination estimate: Cd_rad/NonDe H_rad C5H9O2J2=C5H9O2J 1.670E+010 0.790 149.787 !intra_H_migration estimate: Others-R2H_S Cd_rad_out_double Cs_H_out_NDMustO C5H10O2 +OH =H2O +C5H9O2J 6.262E+008 0.950 16.643 !H_Abstraction estimate: C/H/ODMustO O_pri_rad C5H9O2J =C5H9O2J5 5.703E+009 1.091 157.998 !intra_H_migration estimate: Others-R3H_SS C_rad_out_OneDe/O Cs_H_out_2H HO2 +C5H9O2J =O2 +C5H10O2 3.000E+011 0.000 0.000 !Disproportionation estimate: O_Orad C_rad/ODMustO C5H9O2J +H =C5H10O2 5.000E+013 0.000 0.000 !R_Recombination estimate: C_rad/ODMustO H_rad C4H7O2J +CH3 =C5H10O2 1.210E+013 0.000 0.000 !R_Recombination exact: C_methyl O_rad/NonDe OH +C4H7O2J =H2O +C*CC*OOC 3.262E+012 -0.089 -0.011 !Disproportionation estimate: O_pri_rad C/H/NdDe_Orad O2 +C4H7O2J =HO2 +C*CC*OOC 4.820E+010 0.000 0.000 !Disproportionation_O2d estimate: O2d C/H/NdDe_Orad C*CC*OOC+H =C4H7O2J 1.000E+011 0.000 49.790 !R_Addition_MultipleBond estimate: CO/Nd/De_O H_rad C*CC*OOC+CH3 =C5H9O2J 8.258E+011 0.147 10.597 !R_Addition_MultipleBond estimate: OCO C_methyl CH2CHCHO+CH3O =C4H7O2J 5.473E+011 0.000 15.100 !R_Addition_MultipleBond estimate: CO/H/De_O O_rad/NonDe CH2CHCHO+CH3 =CJC*COC 8.258E+011 0.147 10.597 !R_Addition_MultipleBond estimate: OCO C_methyl C5H9O2J2+CH3O =C5H10O2 +CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: Cd_rad/NonDeC Cmethyl_Orad C5H9O2J +CH3O =C5H10O2 +CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: C_rad/ODMustO Cmethyl_Orad C5H9O2J5+CH3O =C5H10O2 +CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: C_rad/H2/O Cmethyl_Orad OH +C5H9O2J2=C5H10O2 +O 5.710E+009 0.864 117.920 !H_Abstraction estimate: X_H Cd_rad/NonDeC C4H7O2J +O =C*CC*OOC+OH 6.030E+012 0.000 0.000 !Disproportionation estimate: C/H/NdDe_Orad O_atom_triplet C5H10O2 +O =OH +C5H9O2J 3.830E+005 2.410 3.736 !H_Abstraction estimate: C/H/ODMustO O_atom_triplet C5H10O2 +O =OH +C5H9O2J5 5.130E+004 3.050 13.067 !H_Abstraction estimate: C/H3/O O_atom_triplet CJC*COC +O =C4H7O2J 1.000E+013 0.000 0.000 !Oa_R_Recombination estimate: C_rad/H/OneDeO Oa C2H3 +O =C*COJ 1.000E+013 0.000 0.000 !Oa_R_Recombination estimate: Cd_pri_rad Oa C*COJ +O =C*COOJ 1.000E+013 0.000 0.000 !Oa_R_Recombination estimate: O_rad/OneDe Oa OH +CJC*COC =H2O +C*C*COC 6.030E+012 0.000 0.000 !Disproportionation exact: O_pri_rad Cdpri_Csrad O2 +CJC*COC =HO2 +C*C*COC 2.420E+012 0.000 56.693 !Disproportionation_O2d exact: O2d Cdpri_Csrad O +CJC*COC =OH +C*C*COC 7.470E+012 -0.050 -0.238 !Disproportionation estimate: O_atom_triplet Cdpri_Csrad C*C*COC +H =CJC*COC 2.560E+013 0.000 15.481 !R_Addition_MultipleBond exact: Ca_Cd/H/Nd H_rad CH2O +OH =CJH2OOH 8.258E+011 0.147 10.597 !R_Addition_MultipleBond estimate: OCO O_pri_rad OH +C*COJ =H2O +CH2CO 5.413E+012 -0.089 -0.153 !Disproportionation estimate: O_pri_rad Cdpri_Orad O +C*COJ =OH +CH2CO 7.470E+012 -0.050 -0.238 !Disproportionation estimate: O_atom_triplet Cdpri_Orad O2 +C*COJ =HO2 +CH2CO 2.420E+012 0.000 56.693 !Disproportionation_O2d estimate: O2d Cdpri_Orad CH2CO +H =C*COJ 7.929E+012 0.046 20.494 !R_Addition_MultipleBond estimate: Ck_O H_rad CH3OOJ +CJC*COC =CH3OOH +C*C*COC 6.030E+012 0.000 0.000 !Disproportionation estimate: O_rad/NonDeO Cdpri_Csrad CH3OOJ +C4H7O2J =CH3OOH +C*CC*OOC 3.262E+012 -0.089 -0.011 !Disproportionation estimate: O_rad/NonDeO C/H/NdDe_Orad CH3OOJ +C*COJ =CH3OOH +CH2CO 5.413E+012 -0.089 -0.153 !Disproportionation estimate: O_rad/NonDeO Cdpri_Orad CJH2OOH +HO2 =CH3OOH +O2 3.000E+011 0.000 0.000 !Disproportionation estimate: C_rad/H2/O O_Orad CJH2OOH +CJC*COC =CH3OOH +C*C*COC 2.851E+011 0.000 -0.816 !Disproportionation estimate: C_rad/H2/O Cdpri_Csrad CJH2OOH +CH3O =CH3OOH +CH2O 5.115E+013 -0.173 -0.008 !Disproportionation estimate: C_rad/H2/O Cmethyl_Orad CJH2OOH +C4H7O2J =CH3OOH +C*CC*OOC 3.262E+012 -0.089 -0.011 !Disproportionation estimate: C_rad/H2/O C/H/NdDe_Orad CJH2OOH +C*COJ =CH3OOH +CH2CO 5.413E+012 -0.089 -0.153 !Disproportionation estimate: C_rad/H2/O Cdpri_Orad C5H10O2 +CJH2OOH =C5H9O2J +CH3OOH 1.634E+007 1.507 53.212 !H_Abstraction estimate: C/H/ODMustO C_rad/H2/O C5H10O2 +CJH2OOH =C5H9O2J5+CH3OOH 5.924E+005 2.142 51.906 !H_Abstraction estimate: C/H3/O C_rad/H2/O C5H9O2J2+CH3OOH =C5H10O2 +CH3OOJ 1.440E+001 3.100 29.037 !H_Abstraction estimate: Cd_rad/NonDeC O/H/NonDeO C5H9O2J2+CH3OOH =C5H10O2 +CJH2OOH 1.511E+013 0.000 38.388 !H_Abstraction estimate: Cd_rad/NonDeC C/H3/O C5H9O2J +CH3OOH =C5H10O2 +CH3OOJ 1.487E+003 2.386 40.543 !H_Abstraction estimate: C_rad/ODMustO O/H/NonDeO C5H9O2J5+CH3OOH =C5H10O2 +CH3OOJ 1.487E+003 2.386 40.543 !H_Abstraction estimate: C_rad/H2/O O/H/NonDeO CH3OOH +OH =H2O +CJH2OOH 2.442E+004 2.800 -1.757 !H_Abstraction exact: C/H3/O O_pri_rad CJH2OOH +CH3OOH =CH3OOH +CH3OOJ 1.487E+003 2.386 40.543 !H_Abstraction estimate: C_rad/H2/O O/H/NonDeO CH3OOH +O =OH +CJH2OOH 2.565E+004 3.050 13.067 !H_Abstraction estimate: C/H3/O O_atom_triplet ********************************************* ****** Estimated by RMG 2009/12/16 ****** C8H8O ********************************************* C7H8 +CO =C8H8O 8.083E+007 1.701 346.331 !1,2_Insertion estimate: (Average:) Cb_H CO_birad C6H4CH3 +CO =CACJ*O 8.510E+011 0.000 12.510 !R_Addition_COm exact: COm Cb_rad HO2 +CACJ*O =O2 +C8H8O 3.000E+011 0.000 0.000 !Disproportionation estimate: (Average:) O_Orad CO_rad/OneDe H +C8H8O =H2 +CACJ*O 8.070E+007 1.760 2.803 !H_Abstraction estimate: (Average:) H_rad CO/H/OneDe CACJ*O +H =C8H8O 5.000E+013 0.000 0.000 !R_Recombination estimate: (Average:) CO_rad/OneDe H_rad C8H8O +O =CACJ*O +OH 5.000E+012 0.000 7.489 !H_Abstraction estimate: (Average:) CO/H/OneDe O_atom_triplet OH +C8H8O =H2O +CACJ*O 5.486E+012 0.000 24.937 !H_Abstraction estimate: (Average:) O_pri_rad CO/H/OneDe CO +C7H7 =CJACHO 8.083E+007 1.701 346.330 !1,2_Insertion estimate: (Average:) CO_birad Cb_H C8H8O +H =CJACHO +H2 2.706E+007 2.013 22.733 !H_Abstraction estimate: (Average:) C/H3/Cb H_rad CJACHO +H =C8H8O 5.000E+013 0.000 0.000 !R_Recombination estimate: (Average:) C_rad/H2/Cb H_rad HO2 +CJACHO =O2 +C8H8O 3.000E+011 0.000 0.000 !Disproportionation estimate: (Average:) O_Orad C_rad/H2/Cb C8H8O +O =CJACHO +OH 2.565E+004 3.050 13.067 !H_Abstraction estimate: (Average:) C/H3/Cb O_atom_triplet OH +C8H8O =H2O +CJACHO 3.448E+007 1.750 15.855 !H_Abstraction estimate: (Average:) O_pri_rad C/H3/Cb CJACHO =CACJ*O 2.048E+008 1.138 145.560 !intra_H_migration estimate: (Average:) R4H_SBS C_rad_out_2H CO_H_out ********************************************* ****** C9H12O2 2009/12/16 ********************************************* CCJOAOH +CH3 =C9H12O2 6.640E+014 -0.570 0.000 !R_Recombination exact: C_rad/H/NonDeC C_methyl C6H4OH +CH3CHO =CCJOAOH 7.299E+011 0.180 12.490 !R_Addition_MultipleBond estimate: (Average:) Cb_rad OCO C6H4OHOJ+IC3H7 =C9H12O2 1.499E+013 -0.150 1.220 !R_Recombination estimate: (Average:) O_rad/OneDe C_rad/H/NonDeC C6H4OH +CH3COCH3=C9H11O2J 7.299E+011 0.180 12.490 !R_Addition_MultipleBond estimate: (Average:) Cb_rad OCO C9H11O2J+H =C9H12O2 5.000E+013 0.000 0.000 !R_Recombination estimate: (Average:) C_rad/NDMustO H_rad IC3H7 +C9H11O2J=C3H6 +C9H12O2 1.716E+016 -1.100 0.000 !Disproportionation estimate: (Average:) Cmethyl_Csrad C_rad/NDMustO HO2 +C9H11O2J=O2 +C9H12O2 3.000E+011 0.000 0.000 !Disproportionation estimate: (Average:) O_Orad C_rad/NDMustO C9H12O2 +CH3 =C9H11O2J+CH4 5.740E+005 1.830 29.037 !H_Abstraction estimate: (Average:) C/H/NDMustO C_methyl C9H12O2 +H =C9H11O2J+H2 4.830E+008 1.540 12.468 !H_Abstraction estimate: (Average:) C/H/NDMustO H_rad C9H12O2 +O =C9H11O2J+OH 1.570E+005 2.500 4.644 !H_Abstraction estimate: (Average:) C/H/NDMustO O_atom_triplet OH +C9H12O2 =H2O +C9H11O2J 2.570E+006 1.900 6.067 !H_Abstraction estimate: (Average:) O_pri_rad C/H/NDMustO C9H11O2J+H2O2 =C9H12O2 +HO2 2.973E+003 2.386 40.543 !H_Abstraction estimate: (Average:) C_rad/NDMustO O/H/NonDeO C3H6 +C6H4OHOJ=CJC2OAOH 1.000E+011 0.000 43.374 !R_Addition_MultipleBond estimate: (Average:) Cd/H/Nd_Cd/H2 O_rad/OneDe C9H12O2 +CH3 =CJC2OAOH+CH4 1.668E+006 1.900 46.233 !H_Abstraction exact: C/H3/Cs C_methyl C9H12O2 +H =CJC2OAOH+H2 3.768E+008 1.750 31.422 !H_Abstraction exact: C/H3/Cs H_rad CJC2OAOH+H =C9H12O2 1.000E+014 0.000 0.000 !R_Recombination exact: C_rad/H2/Cs H_rad IC3H7 +CJC2OAOH=C3H6 +C9H12O2 1.380E+014 -0.350 0.000 !Disproportionation exact: Cmethyl_Csrad C_rad/H2/Cs HO2 +CJC2OAOH=O2 +C9H12O2 3.000E+011 0.000 0.000 !Disproportionation estimate: (Average:) O_Orad C_rad/H2/Cs CJC2OAOH=C9H11O2J 1.107E+010 0.855 157.214 !intra_H_migration estimate: (Average:) Others-R2H_S C_rad_out_2H Cs_H_out_NDMustO C9H12O2 +O =CJC2OAOH+OH 5.130E+004 3.050 13.067 !H_Abstraction exact: C/H3/Cs O_atom_triplet OH +C9H12O2 =H2O +CJC2OAOH 7.200E+006 2.000 3.598 !H_Abstraction exact: C/H3/Cs O_pri_rad CJC2OAOH+H2O2 =C9H12O2 +HO2 2.973E+003 2.386 40.543 !H_Abstraction estimate: (Average:) C_rad/H2/Cs O/H/NonDeO ********************************************* ****** C7H8O2 2009/12/16 ********************************************* C6H3OHOH+CH3 =C7H8O2 1.380E+013 0.000 0.209 !R_Recombination exact: Cb_rad C_methyl CH2O +C6H3OHOH=C7H7O3J 1.680E+013 0.000 11.297 !R_Addition_MultipleBond estimate: (Average:) CO/H2_O Cb_rad O +C7H7O2J =C7H7O3J 1.000E+013 0.000 0.000 !Oa_R_Recombination estimate: (Average:) Oa C_rad/H2/Cb HO2 +C7H7O2J =O2 +C7H8O2 3.000E+011 0.000 0.000 !Disproportionation estimate: (Average:) O_Orad C_rad/H2/Cb H +C7H8O2 =H2 +C7H7O2J 2.706E+007 2.013 22.733 !H_Abstraction estimate: (Average:) H_rad C/H3/Cb C7H7O2J +H =C7H8O2 5.000E+013 0.000 0.000 !R_Recombination estimate: (Average:) C_rad/H2/Cb H_rad C7H7O2J +H2O2 =C7H8O2 +HO2 2.973E+003 2.386 40.543 !H_Abstraction estimate: (Average:) C_rad/H2/Cb O/H/NonDeO OH +C7H8O2 =H2O +C7H7O2J 3.448E+007 1.750 15.855 !H_Abstraction estimate: (Average:) O_pri_rad C/H3/Cb C7H8O2 +O =C7H7O2J +OH 2.565E+004 3.050 13.067 !H_Abstraction estimate: (Average:) C/H3/Cb O_atom_triplet HC*O(OJ)+C7H7O2J =CO2 +C7H8O2 7.226E+012 -0.050 -0.238 !Disproportionation estimate: (Average:) COpri_Orad C_rad/H2/Cb C7H8O2 +CH3 =C7H7O2J +CH4 1.470E+013 0.000 54.810 !H_Abstraction exact: C/H3/Cb C_methyl ********************************************* ****** From Proc. Combst. Inst. vol.28, 2000, 1733-1739 ****** 2,3-Dihydrobenzofuran ********************************************* DHBF =C8H7OH 2.040E+015 0.000 297.681 ! Lifshitz, 2000 DHBF =C6H6 +CH2CO 2.400E+015 0.000 317.359 ! Lifshitz, 2000 DHBF =C7H8 +CO 2.710E+015 0.000 340.387 ! Lifshitz, 2000 DHBF =BF +H2 7.500E+012 0.000 255.395 ! Lifshitz, 2000 DHBF =C7H7 +HCO 8.000E+015 0.000 328.664 ! Lifshitz, 2000 DHBF =C6H5 +CH3CO 8.000E+015 0.000 364.252 ! Lifshitz, 2000 DHBF =DHBFJ +H 6.000E+015 0.000 347.504 ! Lifshitz, 2000 DHBF +H =DHBFJ +H2 3.000E+014 0.000 33.494 ! Lifshitz, 2000 DHBF +CH3 =DHBFJ +CH4 2.000E+013 0.000 62.802 ! Lifshitz, 2000 C8H10 +H =C6H5CJC +H2 7.940E-005 1.500 1.382 ! Lifshitz, 2000 C8H10 +CH3 =C6H5CCJ +CH4 3.000E+013 0.000 50.242 ! Lifshitz, 2000 DHBFJ =BF +H 1.000E+013 0.000 180.032 ! Lifshitz, 2000 DHBFJ =C7H7 +CO 1.860E+016 0.000 251.208 ! Lifshitz, 2000 DHBFJ =C6H5O +C2H2 1.860E+016 0.000 278.004 ! Lifshitz, 2000 C6H5CJC =C8H8 +H 3.160E+013 0.000 213.527 ! Lifshitz, 2000 C6H5CJC =C6H5 +C2H4 7.080E+014 0.000 230.274 ! Lifshitz, 2000 C7H7 +CH3 =C8H8 +H2 2.100E+014 0.000 52.335 ! Lifshitz, 2000 C2H3 +AR =C2H2 +H +AR 3.000E+015 0.000 133.978 ! Lifshitz, 2000 HCO +AR =H +CO +AR 2.500E+014 0.000 70.757 ! Lifshitz, 2000 CH3CO +AR =CH3 +CO +AR 1.130E+015 0.000 51.498 ! Lifshitz, 2000 ********************************************* ****** BF 10/03/01 ********************************************* O2 +DHBFJ =HO2 +BF 3.616E+011 0.000 0.000 !Disproportionation_O2d estimate: (Average:) O2d C/H2/De_Csrad DHBFJ +OH =BF +H2O 1.140E+013 -0.071 -0.009 !Disproportionation estimate: (Average:) C/H2/De_Csrad O_pri_rad HO2 +DHBFJ =H2O2 +BF 1.140E+013 -0.071 -0.009 !Disproportionation estimate: (Average:) O_rad/NonDeO C/H2/De_Csrad ********************************************* ****** hydroxystyrene 10/09/01 ********************************************* C8H8 +OH =C8H7OH +H 1.560E+024 -3.2 70.757 C8H7OH =OH +a1c2h3* 5.000E+016 0.000 481.482 C6H4OH +C2H3 =C8H7OH 1.500E+022 -2.6 26.293 C8H7OH =C6H5OH +C2H2 1.580E+011 0.0 244.677 C6H4OH +C2H4 =C8H7OH +H 2.510E+012 0.0 25.958 C6H5OH +C2H3 =C8H7OH +H 7.940E+011 0.0 26.796 ********************************************* ****** benzo[f]furan 10/09/02 ********************************************* BF =CO +C6H5CH 1.780E+015 0.0 313.800 END 000 COMPLEX REACTIONS END COLLISION EFFICIENCIES M(1) =H2 +O2 +H2O +CO +CO2 +CH4 1.0 1.0 1.0 1.0 1.0 1.0 M(2) =H2 +H2O +CO2 1.25 6.0 1.9 M(3) =H2 +H2O +C2H2 0.0 0.0 0.0 M(4) =H2 +H2O +CO +CO2 +CH4 +CH3OH 2.5 1.6 1.9 3.8 1.6 5.0 M(5) = END lvgcsn > C2H4O2 + CH2CHCHO + OH + HCO A/cm_unit = 2.500E+016 beta = 0.0 Ea/kJ_mol = 355.64 lvgcsn > OH + OH + C4H6O2 + CH2CO A/cm_unit = 2.500E+016 beta = 0.0 Ea/kJ_mol = 368.192