! 2007-12-30 mdred.mech version 1.0 ! O. Herbinet, T. Lu, S. Humer, U. Niemann, W. J. Pitz, C. K. Law and K. Seshadri, ! "Experimental and Kinetic Modeling Study of Extinction and Autoignition of ! Methyl Decanoate in Laminar Nonpremixed Flows," 32nd Combustion International Symposium on Combustion,! ! Montreal, Canada, submitted, 2007. ! ELEMENTS h c o n ar END SPECIES n2 md h ch ch2 ch2(s) ch3 c2h5 nc3h7 pc4h9 c3h5-a c2h3 ic3h7 c2h c3h3 c3h2 c5h11-1 c6h13-1 c7h15-1 c8h17-1 c9h19-1 c7h15-2 c8h17-2 c7h15-3 c8h17-3 c8h17-4 c6h11-13 c5h9-13 c4h7-13 c7h13-14 c7h13-15 c7h13-16 c6h11-14 c6h11-15 c5h9-14 c5h9-15 c4h7-14 o oh ho2 ch2oh ch3o hco hoch2o ch3oco c9h19co ch3o2 ch3co ch2co c8h17chco c2h5o2 ch2cho c2h3o1-2 hcco c2h3co nc3h7o2 c3h5o c3h6ooh1-2 md2j md3j md4j md5j md6j md7j md8j md9j mo8j ms7j mh6j mf5j mb4j mp3j me2j md2d ms6d mb3d mp2d mh2j mf2j mpmj memj mp2dmj mb3dmj mb3d2j mp2d2j mp2d3j c3h5co c8h17o2-1 c7h15o2-1 me2o2 memo2 mpmo2 md2o2 memooh2j mpmooh2j h2 ch4 c2h4 c2h6 c3h6 c2h2 c3h8 c3h4-a c3h4-p c8h16-1 c7h14-1 c6h12-1 c5h10-1 c4h8-1 c4h6 c5h8-14 o2 h2o h2o2 co co2 ch2o ch3oh hocho c2h3chco ch2cco mp2t c2h3cho meom-2 mpom-2 END REACTIONS !1 h+o2=o+oh 1.915e+14 0.000 16440.0 ! from All_huge_v1a.mech !2 o+h2=h+oh 5.080e+04 2.670 06292.0 ! from All_huge_v1a.mech !3 oh+h2=h+h2o 2.160e+08 1.510 03430.0 ! from All_huge_v1a.mech !4 o+h2o<=>oh+oh 2.970e+06 2.020 13400.0 ! from All_huge_v1a.mech !5 h+h+m=h2+m 1.146e+20 -1.680 00820.0 ! from All_huge_v1a.mech h2/2.5/ h2o/12/ co/1.9/ co2/3.8/ !6 o+o+m=o2+m 6.165e+15 -0.500 00000.0 ! from All_huge_v1a.mech h2/2.5/ h2o/12/ co/1.9/ co2/3.8/ ch4/2/ c2h6/3/ !7 o+h+m=oh+m 4.714e+18 -1.000 00000.0 ! from All_huge_v1a.mech h2/2.5/ h2o/12/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !8 h+oh+m=h2o+m 4.500e+22 -2.000 00000.0 ! from All_huge_v1a.mech h2/.73/ h2o/12/ ch4/2/ ch/3/ !9 h+o2(+m)=ho2(+m) 1.475e+12 0.600 00000.0 ! from All_huge_v1a.mech low / 3.482e+16 -0.411 -01115.0 / troe / 5.0000e-01 1.0000e-30 1.0000e+30 1.0000e+99 / ! troe fall-off reaction h2/1.3/ h2o/14/ co/1.9/ co2/3.8/ ch4/2/ c2h6/3/ !10 ho2+h=h2+o2 1.660e+13 0.000 00823.0 ! from All_huge_v1a.mech !11 ho2+h=oh+oh 7.079e+13 0.000 00295.0 ! from All_huge_v1a.mech !12 ho2+o=oh+o2 3.250e+13 0.000 00000.0 ! from All_huge_v1a.mech !13 ho2+oh=h2o+o2 2.890e+13 0.000 -00497.0 ! from All_huge_v1a.mech !14 ho2+ho2=h2o2+o2 4.200e+14 0.000 11980.0 ! from All_huge_v1a.mech duplicate !15 ho2+ho2=h2o2+o2 1.300e+11 0.000 -01629.0 ! from All_huge_v1a.mech duplicate !16 h2o2(+m)=oh+oh(+m) 2.951e+14 0.000 48430.0 ! from All_huge_v1a.mech low / 1.202e+17 0.000 45500.0 / troe / 5.0000e-01 1.0000e-30 1.0000e+30 1.0000e+99 / ! troe fall-off reaction h2/2.5/ h2o/12/ co/1.9/ co2/3.8/ ch4/2/ c2h6/3/ !17 h2o2+h=h2o+oh 2.410e+13 0.000 03970.0 ! from All_huge_v1a.mech !18 h2o2+h=h2+ho2 6.025e+13 0.000 07950.0 ! from All_huge_v1a.mech !19 h2o2+o=oh+ho2 9.550e+06 2.000 03970.0 ! from All_huge_v1a.mech !20 h2o2+oh=h2o+ho2 1.000e+12 0.000 00000.0 ! from All_huge_v1a.mech duplicate !21 h2o2+oh=h2o+ho2 5.800e+14 0.000 09557.0 ! from All_huge_v1a.mech duplicate !22 co+o(+m)=co2(+m) 1.800e+10 0.000 02384.0 low / 1.350e+24 -2.788 04191.0 / ! lindemann fall-off reaction h2/2/ o2/6/ h2o/6/ co/1.5/ co2/3.5/ ch4/2/ c2h6/3/ !23 co+o2=co2+o 1.050e+12 0.000 42540.0 !24 co+oh=co2+h 1.400e+05 1.950 -01347.0 !25 co+ho2=co2+oh 3.010e+13 0.000 23000.0 !26 hco+m=h+co+m 1.860e+17 -1.000 17000.0 h2/2/ h2o/12/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !27 hco+o2=co+ho2 2.710e+10 0.680 -00469.0 !28 hco+h=co+h2 7.340e+13 0.000 00000.0 !29 hco+o=co+oh 3.020e+13 0.000 00000.0 !30 hco+o=co2+h 3.000e+13 0.000 00000.0 !31 hco+oh=co+h2o 1.020e+14 0.000 00000.0 !32 hco+ch3=ch4+co 2.650e+13 0.000 00000.0 !33 ch2o+o2=hco+ho2 8.070e+15 0.000 53420.0 !34 hco+ho2=co2+h+oh 3.000e+13 0.000 00000.0 !35 hco+hco=ch2o+co 1.800e+13 0.000 00000.0 !36 hco+hco=h2+co+co 3.000e+12 0.000 00000.0 !37 hco+h(+m)=ch2o(+m) 1.090e+12 0.480 -00260.0 low / 1.350e+24 -2.570 01425.0 / troe / 7.8240e-01 2.7100e+02 2.7550e+03 6.5700e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !38 co+h2(+m)=ch2o(+m) 4.300e+07 1.500 79600.0 low / 5.070e+27 -3.420 84348.0 / troe / 9.3200e-01 1.9700e+02 1.5400e+03 1.0300e+04 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !39 ch2o+oh=hco+h2o 7.820e+07 1.630 -01055.0 !40 ch2o+h=hco+h2 5.740e+07 1.900 02740.0 !41 ch2o+o=hco+oh 6.260e+09 1.150 02260.0 !42 ch2o+ch3=hco+ch4 3.830e+01 3.360 04312.0 !43 ch2o+ho2=hco+h2o2 7.100e-03 4.520 06580.0 !44 ch2o+oh=hoch2o 4.500e+15 -1.100 00000.0 !45 hoch2o=hocho+h 1.000e+14 0.000 14900.0 !46 hocho=co+h2o 2.300e+13 0.000 50000.0 !47 hocho=co2+h2 1.500e+16 0.000 57000.0 !48 hco+oh=hocho 1.000e+14 0.000 00000.0 !49 hocho+oh=h2o+co2+h 2.620e+06 2.060 00916.0 rev/ 0.000e+00 0.000 00000.0 / !50 hocho+oh=h2o+co+oh 1.850e+07 1.510 -00962.0 rev/ 0.000e+00 0.000 00000.0 / !51 hocho+h=h2+co2+h 4.240e+06 2.100 04868.0 rev/ 0.000e+00 0.000 00000.0 / !52 hocho+h=h2+co+oh 6.030e+13 -0.350 02988.0 rev/ 0.000e+00 0.000 00000.0 / !53 hocho+ch3=ch4+co+oh 3.900e-07 5.800 02200.0 rev/ 0.000e+00 0.000 00000.0 / !54 hocho+ho2=h2o2+co+oh 1.000e+12 0.000 01192.0 rev/ 0.000e+00 0.000 00000.0 / !55 hocho+o=co+oh+oh 1.770e+18 -1.900 02975.0 rev/ 0.000e+00 0.000 00000.0 / !56 ch3o(+m)=ch2o+h(+m) 6.800e+13 0.000 26170.0 low / 1.867e+25 -3.000 24307.0 / troe / 9.0000e-01 2.5000e+03 1.3000e+03 1.0000e+99 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !57 ch3o+o2=ch2o+ho2 4.380e-19 9.500 -05501.0 !58 ch2o+ch3o=ch3oh+hco 6.620e+11 0.000 02294.0 !59 ch3+ch3oh=ch4+ch3o 1.440e+01 3.100 06935.0 !60 ch3o+ch3=ch2o+ch4 1.200e+13 0.000 00000.0 !61 ch3o+h=ch2o+h2 2.000e+13 0.000 00000.0 !62 ch3o+ho2=ch2o+h2o2 3.010e+11 0.000 00000.0 !63 ch2o+h(+m)=ch2oh(+m) 5.400e+11 0.450 03600.0 low / 1.2700e+32 -4.820 06530.0 / troe / 7.1870e-01 1.0300e+02 1.2910e+03 4.1600e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !64 ch2oh+o2=ch2o+ho2 1.510e+15 -1.000 00000.0 dup !65 ch2oh+o2=ch2o+ho2 2.410e+14 0.000 05017.0 dup !66 ch2oh+h=ch2o+h2 6.000e+12 0.000 00000.0 !67 ch2oh+ho2=ch2o+h2o2 1.200e+13 0.000 00000.0 !68 ch2oh+hco=ch2o+ch2o 1.800e+14 0.000 00000.0 !69 ch2oh+ch3o=ch2o+ch3oh 2.400e+13 0.000 00000.0 !70 ch3oh+hco=ch2oh+ch2o 9.630e+03 2.900 13110.0 !71 oh+ch2oh=h2o+ch2o 2.400e+13 0.000 00000.0 !72 o+ch2oh=oh+ch2o 4.200e+13 0.000 00000.0 !73 ch2oh+ch2oh=ch2o+ch3oh 3.000e+12 0.000 00000.0 !74 ch2oh+ho2=hoch2o+oh 1.000e+13 0.000 00000.0 !75 ch3oh(+m)=ch3+oh(+m) 1.900e+16 0.000 91730.0 low / 2.950e+44 -7.350 95460.0 / troe / 4.1400e-01 2.7900e+02 5.4590e+03 1.0000e+99 / !troe fall-off reaction !76 ch3oh(+m)=ch2oh+h(+m) 2.690e+16 -0.080 98940.0 low / 2.340e+40 -6.330 103100.0 / troe / 7.7300e-01 6.9300e+02 5.3330e+03 1.0000e+99 / !troe fall-off reaction !77 ch3oh+h=ch3o+h2 3.600e+12 0.000 06095.0 !78 ch3oh+h=ch2oh+h2 1.204e+06 2.400 02583.0 !79 ch3oh+o=ch2oh+oh 3.880e+05 2.500 03080.0 !80 ch3oh+oh=ch3o+h2o 5.130e+05 2.130 02450.0 !81 ch3oh+oh=ch2oh+h2o 1.440e+06 2.000 -00839.0 !82 ch3oh+o2=ch2oh+ho2 2.050e+13 0.000 44900.0 !83 ch3oh+ho2=ch2oh+h2o2 1.080e+04 2.550 10530.0 !84 ch3oh+ch3=ch2oh+ch4 3.190e+01 3.170 07172.0 !85 ch3o+ch3oh=ch2oh+ch3oh 3.000e+11 0.000 04074.0 !86 ch3o+ch3o=ch3oh+ch2o 6.030e+13 0.000 00000.0 !87 ch3+h(+m)=ch4(+m) 2.108e+14 0.000 00000.0 low / 6.165e+23 -1.800 00000.0 / troe / 3.7000e-01 3.3150e+03 6.1000e+01 1.0000e+99 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !88 ch4+h=ch3+h2 6.140e+05 2.500 09587.0 !89 ch4+oh=ch3+h2o 5.830e+04 2.600 02190.0 !90 ch4+o=ch3+oh 4.396e+05 2.500 06577.0 !91 ch4+ho2=ch3+h2o2 6.776e+04 2.500 21000.0 !92 ch4+ch2=ch3+ch3 2.460e+06 2.000 08270.0 !93 ch3+oh=ch2o+h2 3.190e+09 0.000 05027.0 !94 ch3+oh=ch2(s)+h2o 6.440e+17 -1.340 01417.0 !95 ch3+oh=ch3o+h 7.226e+11 0.000 05484.0 !96 ch3+oh=ch2oh+h 1.204e+10 0.000 13890.0 !97 ch3+oh=ch2+h2o 5.600e+07 1.600 05420.0 !98 ch3+ho2=ch3o+oh 1.100e+13 0.000 00000.0 !99 ch3+ho2=ch4+o2 3.610e+12 0.000 00000.0 !100 ch3+o=ch2o+h 5.540e+13 0.050 -00136.0 !101 ch3+o2=ch3o+o 1.375e+13 0.000 30520.0 !102 ch3+o2=ch2o+oh 5.870e+11 0.000 14240.0 !103 ch3+o2(+m)=ch3o2(+m) 1.006e+08 1.630 00000.0 low / 3.816e+31 -4.890 03432.0 / troe / 4.5000e-02 8.8010e+02 2.5000e+09 1.7860e+09 / !troe fall-off reaction !104 ch3o2+ch3=ch3o+ch3o 9.000e+12 0.000 -01200.0 !105 ch3o2+ch3o2=ch2o+ch3oh+o2 3.110e+14 -1.610 -01051.0 rev/ 0.000e+00 0.000 00000.0 / !106 ch3o2+ch3o2=o2+ch3o+ch3o 1.400e+16 -1.610 01860.0 rev/ 0.000e+00 0.000 00000.0 / !107 ch3o2+h=ch3o+oh 9.600e+13 0.000 00000.0 !108 ch3o2+o=ch3o+o2 3.600e+13 0.000 00000.0 !109 ch3o2+oh=ch3oh+o2 6.000e+13 0.000 00000.0 !110 ch2(s)=ch2 1.000e+13 0.000 00000.0 !111 ch2(s)+ch4=ch3+ch3 1.600e+13 0.000 -00570.0 !112 ch2(s)+o2=co+oh+h 7.000e+13 0.000 00000.0 rev/ 0.000e+00 0.000 00000.0 / !113 ch2(s)+h2=ch3+h 7.000e+13 0.000 00000.0 !114 ch2(s)+h=ch2+h 3.000e+13 0.000 00000.0 !115 ch2(s)+h=ch+h2 3.000e+13 0.000 00000.0 !116 ch2(s)+o=co+h+h 3.000e+13 0.000 00000.0 rev/ 0.000e+00 0.000 00000.0 / !117 ch2(s)+oh=ch2o+h 3.000e+13 0.000 00000.0 !118 ch2(s)+co2=ch2o+co 3.000e+12 0.000 00000.0 !119 ch2+h(+m)=ch3(+m) 2.500e+16 -0.800 00000.0 low / 3.200e+27 -3.140 01230.0 / troe / 6.8000e-01 7.8000e+01 1.9950e+03 5.5900e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !120 ch2+o2=co+h2o 7.280e+19 -2.540 01809.0 !121 ch2+o2=hco+oh 1.290e+20 -3.300 00284.0 !122 ch2+o2=co2+h+h 3.290e+21 -3.300 0286830 rev/ 0.000e+00 0.000 00000.0 / !123 ch2+o2=ch2o+o 3.290e+21 -3.300 02868.0 !124 ch2+o2=co2+h2 1.010e+21 -3.300 01508.0 !125 ch2+o=co+h+h 5.000e+13 0.000 00000.0 rev/ 0.000e+00 0.000 00000.0 / !126 ch2+h=ch+h2 1.000e+18 -1.560 00000.0 duplicate !127 ch2+oh=ch+h2o 1.130e+07 2.000 03000.0 !128 ch+o2=hco+o 3.300e+13 0.000 00000.0 !129 ch+o=co+h 5.700e+13 0.000 00000.0 !130 ch+oh=hco+h 3.000e+13 0.000 00000.0 !131 ch2+h=ch+h2 2.700e+11 0.670 25700.0 duplicate !132 ch+h2o=h+ch2o 1.713e+13 0.000 -00755.0 !133 ch+co2=hco+co 1.700e+12 0.000 00685.0 !134 c2h6(+m)<=>ch3+ch3(+m) 1.880e+50 -9.72 1.073e+05 low / 3.7200e+65 -1.3140e+01 1.0158e+05 / troe / 3.9000e-01 1.0000e+02 1.9000e+03 6.0000e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !135 c2h5+h(+m)<=>c2h6(+m) 5.270e+17 -0.99 1.580e+03 low / 1.9900e+41 -7.0800e+00 6.6850e+03 / troe / 8.4200e-01 1.2500e+02 2.2190e+03 6.8820e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !136 c2h6+h<=>c2h5+h2 5.740e+07 1.96 7.190e+03 rev/ 5.300e+03 2.64 9.420e+03 / !137 c2h6+o<=>c2h5+oh 3.550e+06 2.40 5.830e+03 rev/ 1.721e+02 3.06 6.648e+03 / !138 c2h6+oh<=>c2h5+h2o 1.480e+07 1.90 9.500e+02 rev/ 1.454e+04 2.48 1.807e+04 / !139 c2h6+o2<=>c2h5+ho2 6.030e+13 0.00 5.187e+04 rev/ 2.921e+10 0.33 -5.930e+02 / !140 c2h6+ch3<=>c2h5+ch4 1.510e-07 6.00 6.047e+03 rev/ 1.273e-08 6.24 9.817e+03 / !141 c2h6+ho2<=>c2h5+h2o2 1.904e+12 0.00 1.589e+04 rev/ 1.018e+11 -0.01 2.119e+03 / !142 c2h6+ch3o<=>c2h5+ch3oh 2.410e+11 0.00 7.090e+03 rev/ 4.779e+08 0.47 9.547e+03 / !143 c2h6+ch<=>c2h5+ch2 1.100e+14 0.00 -2.600e+02 rev/ 3.142e+12 0.04 9.200e+02 / !144 ch2(s)+c2h6<=>ch3+c2h5 1.200e+14 0.00 0.000e+00 rev/ 3.203e+12 0.09 1.750e+04 / !145 c2h4+h(+m)=c2h5(+m) 3.975e+09 1.280 01292.0 low / 2.791e+18 0.000 00755.0 / troe / 7.6000e-01 4.0000e+01 1.0250e+03 1.0000e+99 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !146 c2h4+c2h4=c2h5+c2h3 4.820e+14 0.000 71530.0 !147 ch3+c2h5=ch4+c2h4 1.950e+13 -0.500 00000.0 !148 ch3+ch3=c2h5+h 3.160e+13 0.000 14670.0 !149 c2h5+h=c2h4+h2 2.000e+12 0.000 00000.0 !150 c2h5+o2=c2h5o2 2.940e+13 -0.440 00000.0 !151 c2h5o2=c2h4+ho2 8.800e+05 2.240 29610.0 !152 c2h3o1-2=ch3co 8.500e+14 0.000 14000.0 !153 c2h3o1-2=ch2cho 1.000e+14 0.000 14000.0 !154 ch3co(+m)=ch3+co(+m) 3.000e+12 0.000 16720.0 low / 1.200e+15 0.000 12518.0 / !lindemann fall-off reaction !155 ch3co+h=ch2co+h2 2.000e+13 0.000 00000.0 !156 ch3co+o=ch2co+oh 2.000e+13 0.000 00000.0 !157 ch3co+ch3=ch2co+ch4 5.000e+13 0.000 00000.0 !158 ch2co+h=ch2cho 5.000e+13 0.000 12300.0 !159 ch2cho+o2=ch2o+co+oh 2.000e+13 0.000 04200.0 rev/ 0.000e+00 0.000 00000.0 / !160 ch2+co(+m)=ch2co(+m) 8.100e+11 0.000 00000.0 low / 2.690e+33 -5.110 07095.0 / troe / 5.9070e-01 2.7500e+02 1.2260e+03 5.1850e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !161 ch2co+h=ch3+co 1.100e+13 0.000 03400.0 !162 ch2co+h=hcco+h2 2.000e+14 0.000 08000.0 !163 ch2co+o=ch2+co2 1.750e+12 0.000 01350.0 !164 ch2co+o=hcco+oh 1.000e+13 0.000 08000.0 !165 ch2co+oh=hcco+h2o 1.000e+13 0.000 02000.0 !166 ch2co+oh=ch2oh+co 3.730e+12 0.000 -01013.0 !167 ch2(s)+ch2co=c2h4+co 1.600e+14 0.000 00000.0 !168 hcco+oh=hco+hco 1.000e+13 0.000 00000.0 !169 h+hcco=ch2(s)+co 1.100e+13 0.000 00000.0 !170 hcco+o=h+co+co 8.000e+13 0.000 00000.0 rev/ 0.000e+00 0.000 00000.0 / !171 hcco+o2=co2+hco 2.400e+11 0.000 -00854.0 !172 hcco+m=ch+co+m 6.500e+15 0.000 58820.0 !173 ch+ch2o=h+ch2co 9.460e+13 0.000 -00515.0 !174 ch+hcco=co+c2h2 5.000e+13 0.000 00000.0 !175 c2h3+h(+m)=c2h4(+m) 1.360e+14 0.170 00660.0 low / 1.400e+30 -3.860 03320.0 / troe / 7.8200e-01 2.0750e+02 2.6630e+03 6.0950e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !176 c2h4(+m)=c2h2+h2(+m) 8.000e+12 0.440 88770.0 low / 1.580e+51 -9.300 97800.0 / troe / 7.3500e-01 1.8000e+02 1.0350e+03 5.4170e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !177 c2h4+h=c2h3+h2 5.070e+07 1.930 12950.0 !178 c2h4+o=ch3+hco 8.564e+06 1.880 00183.0 !179 c2h4+o=ch2cho+h 4.986e+06 1.880 00183.0 !180 c2h4+oh=c2h3+h2o 2.090e+06 2.010 01160.0 !181 c2h4+ch3=c2h3+ch4 6.620e+00 3.700 09500.0 !182 c2h4+o2=c2h3+ho2 4.000e+13 0.000 58200.0 !183 c2h4+ch3o=c2h3+ch3oh 1.200e+11 0.000 06750.0 !184 ch+ch4=c2h4+h 6.000e+13 0.000 00000.0 !185 ch2(s)+ch3=c2h4+h 2.000e+13 0.000 00000.0 !186 c2h2+h(+m)=c2h3(+m) 5.600e+12 0.000 02400.0 low / 3.8000e+40 -7.270 07220.0 / troe / 7.5100e-01 9.8500e+01 1.3020e+03 4.1670e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !187 c2h3+o2=c2h2+ho2 2.120e-06 6.000 09484.0 !188 c2h3+o2=ch2o+hco 1.700e+29 -5.310 06500.0 !189 c2h3+o2=ch2cho+o 5.500e+14 -0.610 05260.0 !190 ch3+c2h3=ch4+c2h2 3.920e+11 0.000 00000.0 !191 c2h3+h=c2h2+h2 3.000e+13 0.000 00000.0 !192 c2h3+oh=c2h2+h2o 5.000e+12 0.000 00000.0 !193 c2h+h(+m)=c2h2(+m) 1.000e+17 0.000 00000.0 low / 3.750e+33 -4.800 01900.0 / troe / 6.4600e-01 1.3200e+02 1.3150e+03 5.5660e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ c2h6/3/ !194 c2h2+o2=hcco+oh 2.000e+08 1.500 30100.0 !195 o+c2h2=c2h+oh 4.600e+19 -1.400 28950.0 !196 c2h2+o=ch2+co 2.349e+08 1.400 02206.0 !197 c2h2+o=hcco+h 9.394e+08 1.400 02206.0 !198 c2h2+oh=c2h+h2o 3.370e+07 2.000 14000.0 !199 c2h2+oh=ch2co+h 3.236e+13 0.000 12000.0 !200 c2h2+oh=ch3+co 4.830e-04 4.000 -02000.0 !201 c2h3+hco=c2h3cho 1.810e+13 0.000 00000.0 !202 c2h3cho+h=c2h3co+h2 1.340e+13 0.000 03300.0 !203 c2h3cho+o=c2h3co+oh 5.940e+12 0.000 01868.0 !204 c2h3cho+oh=c2h3co+h2o 9.240e+06 1.500 -00962.0 !205 c2h3cho+o2=c2h3co+ho2 1.005e+13 0.000 40700.0 !206 c2h3cho+ho2=c2h3co+h2o2 3.010e+12 0.000 11920.0 !207 c2h3cho+ch3=c2h3co+ch4 2.608e+06 1.780 05911.0 !208 c2h3cho+c2h3=c2h3co+c2h4 1.740e+12 0.000 08440.0 !209 c2h3cho+ch3o=c2h3co+ch3oh 1.000e+12 0.000 03300.0 !210 c2h3+co=c2h3co 1.510e+11 0.000 04810.0 !211 ch3+co2=ch3oco 4.760e+07 1.540 34700.0 !0 glaude et al., 2005 !212 ch3o+co=ch3oco 1.550e+06 2.020 05730.0 !0 glaude et al., 2005 !213 ch3+c2h5(+m)=c3h8(+m) 1.880e+13 0.000 00000.0 low / 2.710e+74 -16.82 13065.0 / troe / 1.5270e-01 2.9100e+02 2.7420e+03 7.7480e+03 / !troe fall-off reaction h2/2/ h2o/6/ co/1.5/ co2/2/ ch4/2/ ch/3/ !214 nc3h7+h=c3h8 1.000e+14 0.000 00000.0 !215 ic3h7+h=c3h8 1.000e+14 0.000 00000.0 !216 c3h8+o2=ic3h7+ho2 2.000e+13 0.000 49640.0 !217 c3h8+o2=nc3h7+ho2 6.000e+13 0.000 52290.0 !218 h+c3h8=h2+ic3h7 1.300e+06 2.400 04471.0 !219 h+c3h8=h2+nc3h7 1.330e+06 2.540 06756.0 !220 c3h8+o=ic3h7+oh 5.490e+05 2.500 03140.0 !221 c3h8+o=nc3h7+oh 3.710e+06 2.400 05505.0 !222 c3h8+oh=nc3h7+h2o 1.054e+10 0.970 01586.0 !223 c3h8+oh=ic3h7+h2o 4.670e+07 1.610 -00035.0 !224 c3h8+ho2=ic3h7+h2o2 5.880e+04 2.500 14860.0 !225 c3h8+ho2=nc3h7+h2o2 8.100e+04 2.500 16690.0 !226 ch3+c3h8=ch4+ic3h7 6.400e+04 2.170 07520.0 !227 ch3+c3h8=ch4+nc3h7 9.040e-01 3.650 07154.0 !228 ic3h7+c3h8=nc3h7+c3h8 3.000e+10 0.000 12900.0 !229 c2h3+c3h8=c2h4+ic3h7 1.000e+11 0.000 10400.0 !230 c2h3+c3h8=c2h4+nc3h7 1.000e+11 0.000 10400.0 !231 c2h5+c3h8=c2h6+ic3h7 1.000e+11 0.000 10400.0 !232 c2h5+c3h8=c2h6+nc3h7 1.000e+11 0.000 10400.0 !233 c3h8+c3h5-a=nc3h7+c3h6 7.940e+11 0.000 20500.0 !234 c3h8+c3h5-a=ic3h7+c3h6 7.940e+11 0.000 16200.0 !235 c3h8+ch3o=nc3h7+ch3oh 3.000e+11 0.000 07000.0 !236 c3h8+ch3o=ic3h7+ch3oh 3.000e+11 0.000 07000.0 !237 h+c3h6=ic3h7 2.640e+13 0.000 02160.0 !238 ic3h7+h=c2h5+ch3 2.000e+13 0.000 00000.0 !239 ic3h7+o2=c3h6+ho2 4.500e-19 0.000 05020.0 !240 ic3h7+oh=c3h6+h2o 2.410e+13 0.000 00000.0 !241 ch3+c2h4=nc3h7 2.422e+34 -7.010 16850.0 !242 h+c3h6=nc3h7 2.070e+37 -7.390 12020.0 !243 c3h6=c2h3+ch3 2.730e+62 -13.28 123200.0 !244 c3h6=c3h5-a+h 2.010e+61 -13.26 118500.0 !245 c3h6+o=c2h5+hco 1.580e+07 1.760 -01216.0 !246 c3h6+o=ch2co+ch3+h 2.500e+07 1.760 00076.0 rev/ 0.000e+00 0.000 00000.0 / !247 c3h6+o=c3h5-a+oh 5.240e+11 0.700 05884.0 !248 c3h6+oh=c3h5-a+h2o 3.120e+06 2.000 -00298.0 !249 c3h6+ho2=c3h5-a+h2o2 9.640e+03 2.600 13910.0 !250 c3h6+h=c3h5-a+h2 1.730e+05 2.500 02492.0 !251 c3h6+h=c2h4+ch3 4.830e+34 -5.810 18500.0 !252 c3h6+o2=c3h5-a+ho2 4.000e+12 0.000 39900.0 !253 c3h6+ch3=c3h5-a+ch4 2.210e+00 3.500 05675.0 !254 c3h6+c2h5=c3h5-a+c2h6 1.000e+11 0.000 09800.0 !255 c2h2+ch3=c3h5-a 2.610e+46 -9.820 36950.0 !256 c3h4-a+h=c3h5-a 2.400e+11 0.690 03007.0 !257 c3h5-a+ho2=c3h5o+oh 7.000e+12 0.000 -01000.0 !258 c3h5-a+ch3o2=c3h5o+ch3o 7.000e+12 0.000 -01000.0 !259 c3h5-a+h=c3h4-a+h2 1.810e+13 0.000 00000.0 !260 c3h5-a+ch3=c3h4-a+ch4 1.000e+11 0.000 00000.0 !261 c3h5-a+c2h5=c2h6+c3h4-a 4.000e+11 0.000 00000.0 !262 c3h5-a+c2h5=c2h4+c3h6 4.000e+11 0.000 00000.0 !263 c3h5-a+c2h3=c2h4+c3h4-a 1.000e+12 0.000 00000.0 !264 c3h5-a+c3h5-a=c3h4-a+c3h6 1.000e+12 0.000 00000.0 !265 c3h5-a+o2=c3h4-a+ho2 2.180e+21 -2.850 30760.0 !266 c3h5-a+o2=ch2cho+ch2o 7.140e+15 -1.210 21050.0 !267 c3h5-a+o2=c2h3cho+oh 2.470e+13 -0.440 23020.0 !268 c3h5-a+o2=c2h2+ch2o+oh 9.720e+29 -5.710 21450.0 !269 c3h4-a+m=c3h3+h+m 1.143e+17 0.000 70000.0 !270 c3h4-a=c3h4-p 1.202e+15 0.000 92400.0 !271 c3h4-a+o2=c3h3+ho2 4.000e+13 0.000 39160.0 !272 c3h4-a+ho2=ch2co+ch2+oh 4.000e+12 0.000 19000.0 rev/ 1.000e+00 0.000 00000.0 / !273 c3h4-a+oh=ch2co+ch3 3.120e+12 0.000 -00397.0 !274 c3h4-a+oh=c3h3+h2o 1.000e+07 2.000 01000.0 !275 c3h4-a+o=c2h4+co 7.800e+12 0.000 01600.0 !276 c3h4-a+o=c2h2+ch2o 3.000e-03 4.610 -04243.0 !277 c3h4-a+h=c3h3+h2 2.000e+07 2.000 05000.0 !278 c3h4-a+ch3=c3h3+ch4 3.670e-02 4.010 06830.0 !279 c3h4-a+c3h5-a=c3h3+c3h6 2.000e+11 0.000 07700.0 !280 c3h4-a+c2h=c3h3+c2h2 1.000e+13 0.000 00000.0 !281 c3h4-p+m=c3h3+h+m 1.143e+17 0.000 70000.0 !282 c3h4-p=c2h+ch3 4.200e+16 0.000 100000.0 !283 c3h4-p+o2=hcco+oh+ch2 1.000e+07 1.500 30100.0 rev/ 1.000e+00 0.000 00000.0 / !284 c3h4-p+o2=c3h3+ho2 2.000e+13 0.000 41600.0 !285 c3h4-p+ho2=c2h4+co+oh 3.000e+12 0.000 19000.0 !286 c3h4-p+oh=c3h3+h2o 1.000e+07 2.000 01000.0 !287 c3h4-p+oh=ch2co+ch3 5.000e-04 4.500 -01000.0 !288 c3h4-p+o=ch2co+ch2 3.200e-18 0.000 02010.0 !289 c3h4-p+o=c2h3+hco 3.200e+12 0.000 02010.0 !290 c3h4-p+o=c2h4+co 3.200e-18 0.000 02010.0 !291 c3h4-p+o=hcco+ch3 9.600e+08 1.000 00000.0 !292 c3h4-p+o=hcco+ch2+h 3.200e-19 0.000 02010.0 !293 c3h4-p+o=c3h3+oh 7.650e+08 1.500 08600.0 !294 c3h4-p+h=c3h3+h2 2.000e+07 2.000 05000.0 !295 c3h4-p+ch3=c3h3+ch4 1.500e+00 3.500 05600.0 !296 c3h4-p+c2h=c3h3+c2h2 1.000e+12 0.000 00000.0 !297 c3h4-p+c2h3=c3h3+c2h4 1.000e+12 0.000 07700.0 !298 c3h4-p+c3h5-a=c3h3+c3h6 1.000e+12 0.000 07700.0 !299 c3h3+o=ch2o+c2h 1.000e+13 0.000 00000.0 !300 c3h3+oh=c3h2+h2o 1.000e+13 0.000 00000.0 !301 c3h3+o2=ch2co+hco 3.010e+10 0.000 02870.0 !302 c2h5+c2h=c3h3+ch3 1.810e+13 0.000 00000.0 !303 c3h2+o2=hco+hcco 5.000e+13 0.000 00000.0 !304 c3h4-a+ho2=c2h4+co+oh 1.000e+12 0.000 14000.0 !305 c3h4-a+ho2=c3h3+h2o2 3.000e+13 0.000 14000.0 !306 c3h4-p+h=c2h2+ch3 1.000e+14 0.000 04000.0 !307 c3h4-a+h=c2h2+ch3 4.400e+25 -3.340 22640.0 !308 c3h3+h=c3h2+h2 5.000e+13 0.000 00000.0 !309 c3h2+oh=c2h2+hco 5.000e+13 0.000 00000.0 !310 c3h2+o2=hcco+co+h 5.000e+13 0.000 00000.0 rev/ 0.000e+00 0.000 00000.0 / !311 nc3h7+o2=nc3h7o2 4.520e+12 0.000 00000.0 !312 nc3h7o2=c3h6ooh1-2 6.000e+11 0.000 26850.0 !313 c3h6+ho2=c3h6ooh1-2 1.000e+11 0.000 10750.0 !314 c3h6ooh1-2=c2h4+ch2o+oh 1.310e+33 -7.010 48120.0 rev/ 0.000e+00 0.000 00000.0 / !315 c3h5o=c2h3cho+h 1.000e+14 0.000 29100.0 !316 c2h3+ch2o=c3h5o 1.500e+11 0.000 10600.0 !317 c3h5o+o2=c2h3cho+ho2 1.000e+12 0.000 06000.0 !318 nc3h7o2=c3h6+ho2 3.780e+07 1.510 29640.0 !319 md2j+h=md 1.000e+14 0.000 00000.0 !1 !320 md3j+h=md 1.000e+14 0.000 00000.0 !1 !321 md4j+h=md 1.000e+14 0.000 00000.0 !1 !322 md5j+h=md 1.000e+14 0.000 00000.0 !1 !323 md6j+h=md 1.000e+14 0.000 00000.0 !1 !324 md7j+h=md 1.000e+14 0.000 00000.0 !1 !325 md8j+h=md 1.000e+14 0.000 00000.0 !1 !326 md9j+h=md 1.000e+14 0.000 00000.0 !1 !327 mo8j+c2h5=md 8.000e+12 0.000 00000.0 !1 !328 ms7j+nc3h7=md 8.000e+12 0.000 00000.0 !1 !329 mh6j+pc4h9=md 8.000e+12 0.000 00000.0 !1 !330 mf5j+c5h11-1=md 8.000e+12 0.000 00000.0 !1 !331 mb4j+c6h13-1=md 8.000e+12 0.000 00000.0 !1 !332 mp3j+c7h15-1=md 8.000e+12 0.000 00000.0 !1 !333 me2j+c8h17-1=md 8.000e+12 0.000 00000.0 !1 !334 ch3oco+c9h19-1=md 1.810e+13 0.000 00000.0 !1 !335 ch3o+c9h19co=md 3.000e+13 0.000 00000.0 !1 !336 md+h=md2j+h2 3.620e+06 2.540 06756.0 !2 !337 md+ho2=md2j+h2o2 7.220e+03 2.550 10530.0 !2 !338 md+oh=md2j+h2o 1.146e+11 0.510 00063.0 !2 !339 md+o2=md2j+ho2 4.080e+13 0.000 41350.0 !2 !340 md+o=md2j+oh 3.936e+05 2.400 01150.0 !2 !341 md+ch3=md2j+ch4 2.720e+00 3.650 07154.0 !2 !342 md+ch3o=md2j+ch3oh 3.800e+10 0.000 02800.0 !2 !343 md+c2h3=md2j+c2h4 4.000e+11 0.000 14300.0 !2 from mb mechanism !344 md+c2h5=md2j+c2h6 2.000E+11 0.000 07900.0 !2 !345 md+h=md3j+h2 1.300e+06 2.400 04471.0 !2 !346 md+ho2=md3j+h2o2 5.880e+04 2.500 14860.0 !2 !347 md+oh=md3j+h2o 4.670e+07 1.610 -03500.0 !2 !348 md+o2=md3j+ho2 4.000e+13 0.000 50160.0 !2 !349 md+o=md3j+oh 5.946e+05 2.440 02846.0 !2 !350 md+ch3=md3j+ch4 8.400e+04 2.130 07574.0 !2 !351 md+ch3o=md3j+ch3oh 1.100e+11 0.000 05000.0 !2 !352 md+c2h3=md3j+c2h4 4.000e+11 0.000 16800.0 !2 !353 md+c2h5=md3j+c2h6 5.000e+10 0.000 10400.0 !2 !354 md+h=md4j+h2 1.300e+06 2.400 04471.0 !2 !355 md+ho2=md4j+h2o2 5.880e+04 2.500 14860.0 !2 !356 md+oh=md4j+h2o 4.670e+07 1.610 -03500.0 !2 !357 md+o2=md4j+ho2 4.000e+13 0.000 50160.0 !2 !358 md+o=md4j+oh 5.946e+05 2.440 02846.0 !2 !359 md+ch3=md4j+ch4 8.400e+04 2.130 07574.0 !2 !360 md+ch3o=md4j+ch3oh 1.100e+11 0.000 05000.0 !2 !361 md+c2h3=md4j+c2h4 4.000e+11 0.000 16800.0 !2 !362 md+c2h5=md4j+c2h6 5.000e+10 0.000 10400.0 !2 !363 md+h=md5j+h2 1.300e+06 2.400 04471.0 !2 !364 md+ho2=md5j+h2o2 5.880e+04 2.500 14860.0 !2 !365 md+oh=md5j+h2o 4.670e+07 1.610 -03500.0 !2 !366 md+o2=md5j+ho2 4.000e+13 0.000 50160.0 !2 !367 md+o=md5j+oh 5.946e+05 2.440 02846.0 !2 !368 md+ch3=md5j+ch4 8.400e+04 2.130 07574.0 !2 !369 md+ch3o=md5j+ch3oh 1.100e+11 0.000 05000.0 !2 !370 md+c2h3=md5j+c2h4 4.000e+11 0.000 16800.0 !2 !371 md+c2h5=md5j+c2h6 5.000e+10 0.000 10400.0 !2 !372 md+h=md6j+h2 1.300e+06 2.400 04471.0 !2 !373 md+ho2=md6j+h2o2 5.880e+04 2.500 14860.0 !2 !374 md+oh=md6j+h2o 4.670e+07 1.610 -03500.0 !2 !375 md+o2=md6j+ho2 4.000e+13 0.000 50160.0 !2 !376 md+o=md6j+oh 5.946e+05 2.440 02846.0 !2 !377 md+ch3=md6j+ch4 8.400e+04 2.130 07574.0 !2 !378 md+ch3o=md6j+ch3oh 1.100e+11 0.000 05000.0 !2 !379 md+c2h3=md6j+c2h4 4.000e+11 0.000 16800.0 !2 !380 md+c2h5=md6j+c2h6 5.000e+10 0.000 10400.0 !2 !381 md+h=md7j+h2 1.300e+06 2.400 04471.0 !2 !382 md+ho2=md7j+h2o2 5.880e+04 2.500 14860.0 !2 !383 md+oh=md7j+h2o 4.670e+07 1.610 -03500.0 !2 !384 md+o2=md7j+ho2 4.000e+13 0.000 50160.0 !2 !385 md+o=md7j+oh 5.946e+05 2.440 02846.0 !2 !386 md+ch3=md7j+ch4 8.400e+04 2.130 07574.0 !2 !387 md+ch3o=md7j+ch3oh 1.100e+11 0.000 05000.0 !2 !388 md+c2h3=md7j+c2h4 4.000e+11 0.000 16800.0 !2 !389 md+c2h5=md7j+c2h6 5.000e+10 0.000 10400.0 !2 !390 md+h=md8j+h2 1.300e+06 2.400 04471.0 !2 !391 md+ho2=md8j+h2o2 5.880e+04 2.500 14860.0 !2 !392 md+oh=md8j+h2o 4.670e+07 1.610 -03500.0 !2 !393 md+o2=md8j+ho2 4.000e+13 0.000 50160.0 !2 !394 md+o=md8j+oh 5.946e+05 2.440 02846.0 !2 !395 md+ch3=md8j+ch4 8.400e+04 2.130 07574.0 !2 !396 md+ch3o=md8j+ch3oh 1.100e+11 0.000 05000.0 !2 !397 md+c2h3=md8j+c2h4 4.000e+11 0.000 16800.0 !2 !398 md+c2h5=md8j+c2h6 5.000e+10 0.000 10400.0 !2 !399 md+h=md9j+h2 1.300e+06 2.400 04471.0 !2 !400 md+ho2=md9j+h2o2 5.880e+04 2.500 14860.0 !2 !401 md+oh=md9j+h2o 4.670e+07 1.610 -03500.0 !2 !402 md+o2=md9j+ho2 4.000e+13 0.000 50160.0 !2 !403 md+o=md9j+oh 5.946e+05 2.440 02846.0 !2 !404 md+ch3=md9j+ch4 8.400e+04 2.130 07574.0 !2 !405 md+ch3o=md9j+ch3oh 1.100e+11 0.000 05000.0 !2 !406 md+c2h3=md9j+c2h4 4.000e+11 0.000 16800.0 !2 !407 md+c2h5=md9j+c2h6 5.000e+10 0.000 10400.0 !2 !408 ms7j+c3h6=md9j 8.800e+03 2.480 06130.0 !3 !409 c4h8-1+mh6j=md8j 8.800e+03 2.480 06130.0 !3 !410 c5h10-1+mf5j=md7j 8.800e+03 2.480 06130.0 !3 !411 nc3h7+ms6d=md6j 8.800e+03 2.480 06130.0 !3 !412 c6h12-1+mb4j=md6j 8.800e+03 2.480 06130.0 !3 !413 c7h14-1+mp3j=md5j 8.800e+03 2.480 06130.0 !3 !414 c8h16-1+me2j=md4j 2.000e+11 0.000 07600.0 !3 from mb mechanism !415 c6h13-1+mb3d=md3j 8.800e+03 2.480 06130.0 !3 !416 md2d+h=md3j 1.000e+13 0.000 02900.0 !3 from mb mechanism !417 c7h15-1+mp2d=md2j 1.000e+11 0.000 07600.0 !3 from mb mechanism but c7h15-1 instead of ch3! !418 md2d+h=md2j 1.000e+13 0.000 02900.0 !3 from mb mechanism !419 ch3o+c8h17chco=md2j 5.000e+11 0.000 -01000.0 !3 from mb mechanism !420 c2h4+mh6j=mo8j 8.800e+03 2.480 06130.0 !3 !421 c2h4+mf5j=ms7j 8.800e+03 2.480 06130.0 !3 !422 ms6d+h=ms7j 2.500e+11 0.510 02620.0 !3 !423 c2h4+mb4j=mh6j 8.800e+03 2.480 06130.0 !3 !424 c2h4+mp3j=mf5j 8.800e+03 2.480 06130.0 !3 !425 c2h4+me2j=mb4j 2.000e+11 0.000 07600.0 !3 from mb mechanism !426 mb3d+h=mb4j 2.500e+11 0.510 02620.0 !3 !427 c2h4+ch3oco=mp3j 1.055e+11 0.000 07350.0 !3 from mb mechanism !428 mp2d+h=mp3j 1.000e+13 0.000 02900.0 !3 from mb mechanism !429 ch2co+ch3o=me2j 5.000e+11 0.000 -01000.0 !3 from mb mechanism !430 c2h4+c7h15-1=c9h19-1 8.800e+03 2.480 06130.0 !3 !431 c2h4+c6h13-1=c8h17-1 8.800e+03 2.480 06130.0 !3 !432 c8h16-1+h=c8h17-1 2.500e+11 0.510 02620.0 !3 !433 c2h4+c5h11-1=c7h15-1 8.800e+03 2.480 06130.0 !3 !434 c7h14-1+h=c7h15-1 2.500e+11 0.510 02620.0 !3 !435 c2h4+pc4h9=c6h13-1 8.800e+03 2.480 06130.0 !3 !436 c6h12-1+h=c6h13-1 2.500e+11 0.510 02620.0 !3 !437 nc3h7+c2h4=c5h11-1 8.800e+03 2.480 06130.0 !3 !438 c5h10-1+h=c5h11-1 2.500e+11 0.510 02620.0 !3 !439 c2h4+c2h5=pc4h9 1.320e+04 2.480 06130.0 !3 !440 c4h8-1+h=pc4h9 2.500e+11 0.510 02620.0 !3 !441 c8h17chco+h=c9h19co 1.000e+13 0.000 02900.0 !3 from mb mechanism !442 ch2co+c8h17-1=c9h19co 1.000e+11 0.000 07600.0 !3 from mb mechanism !443 c9h19-1+co=c9h19co 1.510e+11 0.000 04810.0 !3 !444 nc3h7+mp2d=mh2j 1.000e+11 0.000 07600.0 !3 from mb mechanism but nc3h7 instead of ch3! !445 c2h5+mp2d=mf2j 1.000e+11 0.000 07600.0 !3 from mb mechanism but c2h5 instead of ch3! !446 ch2o+ch3co=memj 2.000e+11 0.000 20090.0 !3 henry et all., 2003 adition of ch3 to o of ch2o !447 c5h11-1+c3h6=c8h17-2 8.800e+03 2.480 06130.0 !3 !448 c8h16-1+h=c8h17-2 4.240e+11 0.510 01230.0 !3 !449 pc4h9+c4h8-1=c8h17-3 8.800e+03 2.480 06130.0 !3 !450 ch3+c7h14-1=c8h17-3 8.800e+03 2.480 06130.0 !3 !451 nc3h7+c5h10-1=c8h17-4 8.800e+03 2.480 06130.0 !3 !452 c2h5+c6h12-1=c8h17-4 8.800e+03 2.480 06130.0 !3 !453 pc4h9+c3h6=c7h15-2 8.800e+03 2.480 06130.0 !3 !454 c7h14-1+h=c7h15-2 4.240e+11 0.510 01230.0 !3 !455 nc3h7+c4h8-1=c7h15-3 8.800e+03 2.480 06130.0 !3 !456 ch3+c6h12-1=c7h15-3 8.800e+03 2.480 06130.0 !3 !457 c2h5+o2=c2h4+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !458 nc3h7+o2=c3h6+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !459 pc4h9+o2=c4h8-1+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !460 c5h11-1+o2=c5h10-1+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !461 c6h13-1+o2=c6h12-1+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !462 c7h15-1+o2=c7h14-1+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !463 c8h17-1+o2=c8h16-1+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !464 md2j+o2=md2d+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !465 md3j+o2=md2d+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !466 ms7j+o2=ms6d+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !467 mb4j+o2=mb3d+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !468 mp3j+o2=mp2d+ho2 1.600e+12 0.000 05000.0 !4 Nancy, Exgas !469 c8h17-1=c8h17-2 3.560e+10 0.880 37300.0 !5 matheu, 2003 1,2 h-shift p->s !470 c8h17-1=c8h17-3 3.800e+10 0.670 36600.0 !5 matheu, 2003 1,3 h-shift p->s !471 c8h17-1=c8h17-4 7.850e+11 -0.120 20600.0 !5 matheu, 2003 1,4 h-shift p->s duplicate !472 c8h17-1=c8h17-4 1.830e+02 2.550 10960.0 !5 tsang, 2006 1,5 h-shift p->s (hexenyl radical) duplicate !473 c8h17-2=c8h17-3 3.560e+10 0.880 39100.0 !5 matheu, 2003 1,2 h-shift s->s duplicate !474 c8h17-2=c8h17-4 3.800e+10 0.670 38200.0 !5 matheu, 2003 1,3 h-shift s->s duplicate !475 c8h17-2=c8h17-4 7.850e+11 -0.120 23500.0 !5 matheu, 2003 1,4 h-shift s->s duplicate !476 c8h17-2=c8h17-3 3.67e+12 -0.600 14700.0 !5 1,5 h-shift s->s correlation from 1,4 h-shift s->s & p->p duplicate !477 c8h17-3=c8h17-4 3.560e+10 0.880 39100.0 !5 matheu, 2003 1,2 h-shift s->s duplicate !478 c8h17-3=c8h17-4 3.800e+10 0.670 38200.0 !5 matheu, 2003 1,3 h-shift s->s duplicate !479 c7h15-1=c7h15-2 3.560e+10 0.880 37300.0 !5 matheu, 2003 1,2 h-shift p->s !480 c7h15-1=c7h15-3 3.800e+10 0.670 36600.0 !5 matheu, 2003 1,3 h-shift p->s duplicate !481 c7h15-1=c7h15-3 1.830e+02 2.550 10960.0 !5 tsang, 2006 1,5 h-shift p->s (hexenyl radical) duplicate !482 c7h15-2=c7h15-3 3.560e+10 0.880 39100.0 !5 matheu, 2003 1,2 h-shift s->s duplicate !483 c7h15-2=c7h15-3 7.850e+11 -0.120 23500.0 !5 matheu, 2003 1,4 h-shift s->s duplicate !484 nc3h7=ic3h7 3.560e+10 0.880 37300.0 !5 matheu, 2003 1,2 h-shift p->s !485 md9j=md8j 3.560e+10 0.880 39100.0 !5 matheu, 2003 1,2 h-shift s->s !486 md9j=md7j 3.800e+10 0.670 38200.0 !5 matheu, 2003 1,3 h-shift s->s !487 md9j=md6j 7.850e+11 -0.120 23500.0 !5 matheu, 2003 1,4 h-shift s->s !488 md9j=md5j 3.67e+12 -0.600 14700.0 !5 1,5 h-shift s->s correlation from 1,4 h-shift s->s & p->p !489 md8j=md7j 3.560e+10 0.880 39100.0 !5 matheu, 2003 1,2 h-shift s->s !490 md8j=md6j 3.800e+10 0.670 38200.0 !5 matheu, 2003 1,3 h-shift s->s !491 md8j=md5j 7.850e+11 -0.120 23500.0 !5 matheu, 2003 1,4 h-shift s->s !492 md8j=md4j 3.670e+12 -0.600 14700.0 !5 1,5 h-shift s->s correlation from 1,4 h-shift s->s & p->p !493 md7j=md6j 3.560e+10 0.880 39100.0 !5 matheu, 2003 1,2 h-shift s->s !494 md7j=md5j 3.800e+10 0.670 38200.0 !5 matheu, 2003 1,3 h-shift s->s !495 md7j=md4j 7.850e+11 -0.120 23500.0 !5 matheu, 2003 1,4 h-shift s->s !496 md7j=md3j 3.67e+12 -0.600 14700.0 !5 1,5 h-shift s->s correlation from 1,4 h-shift s->s & p->p !497 md6j=md5j 3.560e+10 0.880 39100.0 !5 matheu, 2003 1,2 h-shift s->s !498 md6j=md4j 3.800e+10 0.670 38200.0 !5 matheu, 2003 1,3 h-shift s->s !499 md6j=md3j 7.850e+11 -0.120 23500.0 !5 matheu, 2003 1,4 h-shift s->s !500 md6j=md2j 3.670e+12 -0.600 13800.0 !5 1,5 h-shift s->t correlation from 1,4 h-shift s->t & p->p !501 md5j=md4j 3.560e+10 0.880 39100.0 !5 matheu, 2003 1,2 h-shift s->s !502 md5j=md3j 3.800e+10 0.670 38200.0 !5 matheu, 2003 1,3 h-shift s->s !503 md5j=md2j 7.850e+11 -0.120 20600.0 !5 matheu, 2003 1,4 h-shift assumed like s->t !504 md4j=md3j 3.560e+10 0.880 39100.0 !5 matheu, 2003 1,2 h-shift s->s !505 md4j=md2j 3.800e+10 0.670 36100.0 !5 matheu, 2003 1,3 h-shift assumed like s->t !506 md3j=md2j 3.560e+10 0.880 37700.0 !5 matheu, 2003 1,2 h-shift assumed like s->t !507 mh6j=mh2j 3.670e+12 -0.600 10500.0 !5 1,5 h-shift p->t correlation from 1,4 h-shift p->t & p->p !508 mf5j=mf2j 7.850e+11 -0.120 18300.0 !5 matheu, 2003 1,4 h-shift assumed like p->t !509 mpmj=mp3j 1.830e+02 2.550 10960.0 !5 tsang, 2006 1,5 h-shift p->s (hexenyl radical) !510 memj=me2j 7.850e+11 -0.120 18300.0 !5 matheu, 2003 1,4 h-shift assumed like p->t !511 c7h14-1+h=c7h13-14+h2 1.300e+06 2.400 04471.0 !6 !512 c7h14-1+h=c7h13-15+h2 1.300e+06 2.400 04471.0 !6 !513 c7h14-1+h=c7h13-16+h2 1.300e+06 2.400 04471.0 !6 !514 c7h14-1+ho2=c7h13-14+h2o2 5.880e+04 2.500 14860.0 !6 !515 c7h14-1+ho2=c7h13-15+h2o2 5.880e+04 2.500 14860.0 !6 !516 c7h14-1+ho2=c7h13-16+h2o2 5.880e+04 2.500 14860.0 !6 !517 c7h14-1+oh=c7h13-14+h2o 4.670e+07 1.610 -03500.0 !6 !518 c7h14-1+oh=c7h13-15+h2o 4.670e+07 1.610 -03500.0 !6 !519 c7h14-1+oh=c7h13-16+h2o 4.670e+07 1.610 -03500.0 !6 !520 c7h14-1+o2=c7h13-14+ho2 4.000e+13 0.000 50160.0 !6 !521 c7h14-1+o2=c7h13-15+ho2 4.000e+13 0.000 50160.0 !6 !522 c7h14-1+o2=c7h13-16+ho2 4.000e+13 0.000 50160.0 !6 !523 c7h14-1+o=c7h13-14+oh 5.946e+05 2.440 02846.0 !6 !524 c7h14-1+o=c7h13-15+oh 5.946e+05 2.440 02846.0 !6 !525 c7h14-1+o=c7h13-16+oh 5.946e+05 2.440 02846.0 !6 !526 c7h14-1+ch3=c7h13-14+ch4 8.400e+04 2.130 07574.0 !6 !527 c7h14-1+ch3=c7h13-15+ch4 8.400e+04 2.130 07574.0 !6 !528 c7h14-1+ch3=c7h13-16+ch4 8.400e+04 2.130 07574.0 !6 !529 c7h14-1+ch3o=c7h13-14+ch3oh 1.100e+11 0.000 05000.0 !6 !530 c7h14-1+ch3o=c7h13-15+ch3oh 1.100e+11 0.000 05000.0 !6 !531 c7h14-1+ch3o=c7h13-16+ch3oh 1.100e+11 0.000 05000.0 !6 !532 c7h14-1+c2h3=c7h13-14+c2h4 4.000e+11 0.000 16800.0 !6 !533 c7h14-1+c2h3=c7h13-15+c2h4 4.000e+11 0.000 16800.0 !6 !534 c7h14-1+c2h3=c7h13-16+c2h4 4.000e+11 0.000 16800.0 !6 !535 c7h14-1+c2h5=c7h13-14+c2h6 5.000e+10 0.000 10400.0 !6 !536 c7h14-1+c2h5=c7h13-15+c2h6 5.000e+10 0.000 10400.0 !6 !537 c7h14-1+c2h5=c7h13-16+c2h6 5.000e+10 0.000 10400.0 !6 !538 c6h12-1+h=c6h11-13+h2 3.376e+05 2.360 00207.0 !6 !539 c6h12-1+h=c6h11-14+h2 1.300e+06 2.400 04471.0 !6 !540 c6h12-1+h=c6h11-15+h2 1.300e+06 2.400 04471.0 !6 !541 c6h12-1+ho2=c6h11-13+h2o2 4.820e+03 2.550 10530.0 !6 !542 c6h12-1+ho2=c6h11-14+h2o2 5.880e+04 2.500 14860.0 !6 !543 c6h12-1+ho2=c6h11-15+h2o2 5.880e+04 2.500 14860.0 !6 !544 c6h12-1+oh=c6h11-13+h2o 2.764e+04 2.640 -01919.0 !6 !545 c6h12-1+oh=c6h11-14+h2o 4.670e+07 1.610 -03500.0 !6 !546 c6h12-1+oh=c6h11-15+h2o 4.670e+07 1.610 -03500.0 !6 !547 c6h12-1+o2=c6h11-13+ho2 2.200e+12 0.000 37220.0 !6 !548 c6h12-1+o2=c6h11-14+ho2 4.000e+13 0.000 50160.0 !6 !549 c6h12-1+o2=c6h11-15+ho2 4.000e+13 0.000 50160.0 !6 !550 c6h12-1+o=c6h11-13+oh 6.600e+05 2.430 01210.0 !6 !551 c6h12-1+o=c6h11-14+oh 5.946e+05 2.440 02846.0 !6 !552 c6h12-1+o=c6h11-15+oh 5.946e+05 2.440 02846.0 !6 !553 c6h12-1+ch3=c6h11-13+ch4 3.690e+00 3.310 04002.0 !6 !554 c6h12-1+ch3=c6h11-14+ch4 8.400e+04 2.130 07574.0 !6 !555 c6h12-1+ch3=c6h11-15+ch4 8.400e+04 2.130 07574.0 !6 !556 c6h12-1+ch3o=c6h11-13+ch3oh 4.000e+01 2.900 08609.0 !6 !557 c6h12-1+ch3o=c6h11-14+ch3oh 1.100e+11 0.000 05000.0 !6 !558 c6h12-1+ch3o=c6h11-15+ch3oh 1.100e+11 0.000 05000.0 !6 !559 c6h12-1+c2h3=c6h11-13+c2h4 2.211E+00 3.500 04690.0 !6 !560 c6h12-1+c2h3=c6h11-14+c2h4 4.000e+11 0.000 16800.0 !6 !561 c6h12-1+c2h3=c6h11-15+c2h4 4.000e+11 0.000 16800.0 !6 !562 c6h12-1+c2h5=c6h11-13+c2h6 1.000e+11 0.000 09800.0 !6 !563 c6h12-1+c2h5=c6h11-14+c2h6 5.000e+10 0.000 10400.0 !6 !564 c6h12-1+c2h5=c6h11-15+c2h6 5.000e+10 0.000 10400.0 !6 !565 c5h10-1+h=c5h9-13+h2 3.376e+05 2.360 00207.0 !6 !566 c5h10-1+h=c5h9-14+h2 1.300e+06 2.400 04471.0 !6 !567 c5h10-1+h=c5h9-15+h2 9.400e+04 2.750 06280.0 !6 !568 c5h10-1+ho2=c5h9-13+h2o2 4.820e+03 2.550 10530.0 !6 !569 c5h10-1+ho2=c5h9-14+h2o2 5.880e+04 2.500 14860.0 !6 !570 c5h10-1+ho2=c5h9-15+h2o2 4.050e+04 2.500 16690.0 !6 !571 c5h10-1+oh=c5h9-13+h2o 2.764e+04 2.640 -01919.0 !6 !572 c5h10-1+oh=c5h9-14+h2o 4.670e+07 1.610 -03500.0 !6 !573 c5h10-1+oh=c5h9-15+h2o 5.270e+09 0.970 01590.0 !6 !574 c5h10-1+o2=c5h9-13+ho2 2.200e+12 0.000 37220.0 !6 !575 c5h10-1+o2=c5h9-14+ho2 4.000e+13 0.000 50160.0 !6 !576 c5h10-1+o2=c5h9-15+ho2 6.000e+13 0.000 52800.0 !6 !577 c5h10-1+o=c5h9-13+oh 6.600e+05 2.430 01210.0 !6 !578 c5h10-1+o=c5h9-14+oh 5.946e+05 2.440 02846.0 !6 !579 c5h10-1+o=c5h9-15+oh 1.046e+06 2.420 04766.0 !6 !580 c5h10-1+ch3=c5h9-13+ch4 3.690e+00 3.310 04002.0 !6 !581 c5h10-1+ch3=c5h9-14+ch4 8.400e+04 2.130 07574.0 !6 !582 c5h10-1+ch3=c5h9-15+ch4 4.520e-01 3.650 07154.0 !6 !583 c5h10-1+ch3o=c5h9-13+ch3oh 4.000e+01 2.900 08609.0 !6 !584 c5h10-1+ch3o=c5h9-14+ch3oh 1.100e+11 0.000 05000.0 !6 !585 c5h10-1+ch3o=c5h9-15+ch3oh 1.500e+10 0.000 07000.0 !6 !586 c5h10-1+c2h3=c5h9-13+c2h4 2.211E+00 3.500 04690.0 !6 !587 c5h10-1+c2h3=c5h9-14+c2h4 4.000e+11 0.000 16800.0 !6 !588 c5h10-1+c2h3=c5h9-15+c2h4 5.000e+11 0.000 18000.0 !6 !589 c5h10-1+c2h5=c5h9-13+c2h6 1.000e+11 0.000 09800.0 !6 !590 c5h10-1+c2h5=c5h9-14+c2h6 5.000e+10 0.000 10400.0 !6 !591 c5h10-1+c2h5=c5h9-15+c2h6 5.000e+10 0.000 13400.0 !6 !592 c4h8-1+h=c4h7-13+h2 3.376e+05 2.360 00207.0 !6 !593 c4h8-1+h=c4h7-14+h2 9.400e+04 2.750 06280.0 !6 !594 c4h8-1+ho2=c4h7-13+h2o2 4.820e+03 2.550 10530.0 !6 !595 c4h8-1+ho2=c4h7-14+h2o2 4.050e+04 2.500 16690.0 !6 !596 c4h8-1+oh=c4h7-13+h2o 2.764e+04 2.640 -01919.0 !6 !597 c4h8-1+oh=c4h7-14+h2o 5.270e+09 0.970 01590.0 !6 !598 c4h8-1+o2=c4h7-13+ho2 2.200e+12 0.000 37220.0 !6 !599 c4h8-1+o2=c4h7-14+ho2 6.000e+13 0.000 52800.0 !6 !600 c4h8-1+o=c4h7-13+oh 6.600e+05 2.430 01210.0 !6 !601 c4h8-1+o=c4h7-14+oh 1.046e+06 2.420 04766.0 !6 !602 c4h8-1+ch3=c4h7-13+ch4 3.690e+00 3.310 04002.0 !6 !603 c4h8-1+ch3=c4h7-14+ch4 4.520e-01 3.650 07154.0 !6 !604 c4h8-1+ch3o=c4h7-13+ch3oh 4.000e+01 2.900 08609.0 !6 !605 c4h8-1+ch3o=c4h7-14+ch3oh 1.500e+10 0.000 07000.0 !6 !606 c4h8-1+c2h3=c4h7-13+c2h4 2.211E+00 3.500 04690.0 !6 !607 c4h8-1+c2h3=c4h7-14+c2h4 5.000e+11 0.000 18000.0 !6 !608 c4h8-1+c2h5=c4h7-13+c2h6 1.000e+11 0.000 09800.0 !6 !609 c4h8-1+c2h5=c4h7-14+c2h6 5.000e+10 0.000 13400.0 !6 !610 mp2d+h=mp2dmj+h2 9.400e+04 2.750 06280.0 !6 !611 mp2d+ho2=mp2dmj+h2o2 4.050e+04 2.500 16690.0 !6 !612 mp2d+oh=mp2dmj+h2o 5.270e+09 0.970 01590.0 !6 !613 mp2d+o2=mp2dmj+ho2 6.000e+13 0.000 52800.0 !6 !614 mp2d+o=mp2dmj+oh 1.046e+06 2.420 04766.0 !6 !615 mp2d+ch3=mp2dmj+ch4 4.520e-01 3.650 07154.0 !6 !616 mp2d+ch3o=mp2dmj+ch3oh 1.500e+10 0.000 07000.0 !6 !617 mp2d+c2h3=mp2dmj+c2h4 5.000e+11 0.000 18000.0 !6 !618 mp2d+c2h5=mp2dmj+c2h6 5.000e+10 0.000 13400.0 !6 !619 mp2d+h=mp2d3j+h2 8.040e+05 2.500 12280.0 !6 !620 mp2d+ho2=mp2d3j+h2o2 7.500e+09 0.000 12570.0 !6 !621 mp2d+oh=mp2d3j+h2o 2.110e+06 2.000 02778.0 !6 !622 mp2d+o2=mp2d3j+ho2 2.000e+12 0.000 62900.0 !6 !623 mp2d+o=mp2d3j+oh 1.200e+11 0.700 08959.0 !6 !624 mp2d+ch3=mp2d3j+ch4 1.348e+00 3.500 12850.0 !6 !625 mp2d+c2h3=mp2d3j+c2h4 1.387e+00 3.500 10870.0 !6 !626 mp2d+h=mp2d2j+h2 4.050e+05 2.500 09794.0 !6 !627 mp2d+ho2=mp2d2j+h2o2 3.000e+09 0.000 09930.0 !6 !628 mp2d+oh=mp2d2j+h2o 1.110e+06 2.000 01451.0 !6 !629 mp2d+o2=mp2d2j+ho2 1.400e+12 0.000 60700.0 !6 !630 mp2d+o=mp2d2j+oh 6.030e+10 0.700 07632.0 !6 !631 mp2d+ch3=mp2d2j+ch4 8.400e-01 3.500 11660.0 !6 !632 mp2d+c2h3=mp2d2j+c2h4 8.401e-01 3.500 09680.0 !6 !633 mb3d+h=mb3dmj+h2 9.400e+04 2.750 06280.0 !6 !634 mb3d+ho2=mb3dmj+h2o2 4.050e+04 2.500 16690.0 !6 !635 mb3d+oh=mb3dmj+h2o 5.270e+09 0.970 01590.0 !6 !636 mb3d+o2=mb3dmj+ho2 6.000e+13 0.000 52800.0 !6 !637 mb3d+o=mb3dmj+oh 1.046e+06 2.420 04766.0 !6 !638 mb3d+ch3=mb3dmj+ch4 4.520e-01 3.650 07154.0 !6 !639 mb3d+ch3o=mb3dmj+ch3oh 1.500e+10 0.000 07000.0 !6 !640 mb3d+c2h3=mb3dmj+c2h4 5.000e+11 0.000 18000.0 !6 !641 mb3d+c2h5=mb3dmj+c2h6 5.000e+10 0.000 13400.0 !6 !642 mb3d+h=mb3d2j+h2 3.376e+05 2.360 00207.0 !6 !643 mb3d+ho2=mb3d2j+h2o2 4.820e+03 2.550 10530.0 !6 !644 mb3d+oh=mb3d2j+h2o 2.764e+04 2.640 -01919.0 !6 !645 mb3d+o2=mb3d2j+ho2 2.200e+12 0.000 37220.0 !6 !646 mb3d+o=mb3d2j+oh 6.600e+05 2.430 01210.0 !6 !647 mb3d+ch3=mb3d2j+ch4 3.690e+00 3.310 04002.0 !6 !648 mb3d+ch3o=mb3d2j+ch3oh 4.000e+01 2.900 08609.0 !6 !649 mb3d+c2h3=mb3d2j+c2h4 2.211E+00 3.500 04690.0 !6 !650 mb3d+c2h5=mb3d2j+c2h6 1.000e+11 0.000 09800.0 !6 !651 c2h3+c5h10-1=c7h13-14 2.000E+11 0.000 02007.0 !8 Weissman et Benson, 1984 !652 c2h5+c5h8-14=c7h13-14 8.800e+03 2.480 06130.0 !8 !653 c7h13-15=c3h5-a+c4h8-1 3.310e+13 0.000 21460.0 !8 gierczak et al., 1986 !654 c4h7-14+c3h6=c7h13-16 8.800e+03 2.480 06130.0 !8 !655 c2h5+c4h6=c6h11-13 1.760e+04 2.480 06130.0 !8 A*2 !656 c2h3+c4h8-1=c6h11-14 2.000E+11 0.000 02007.0 !8 Weissman et Benson, 1984 !657 ch3+c5h8-14=c6h11-14 8.800e+03 2.480 06130.0 !8 !658 c6h11-15=c3h5-a+c3h6 3.310e+13 0.000 21460.0 !8 gierczak et al., 1986 !659 ch3+c4h6=c5h9-13 3.580e+04 2.480 06130.0 !8 A*2 !660 h+c5h8-14=c5h9-14 4.240e+11 0.510 01230.0 !8 !661 c2h3+c3h6=c5h9-14 2.000E+11 0.000 02007.0 !8 Weissman et Benson, 1984 !662 h+c5h8-14=c5h9-15 5.000e+11 0.510 02620.0 !8 A*2 !663 c5h9-15=c2h4+c3h5-a 3.310e+13 0.000 21460.0 !8 gierczak et al., 1986 !664 h+c4h6=c4h7-13 4.240e+11 0.510 01230.0 !8 !665 h+c4h6=c4h7-14 2.500e+11 0.510 02620.0 !8 !666 c2h3+c2h4=c4h7-14 2.000E+11 0.000 02007.0 !8 Weissman et Benson, 1984 !667 c4h7-14=c4h7-13 3.560e+10 0.880 31500.0 !8 Matheu et al., 2003 1,2 h-shift s->a !668 c5h9-14=c5h9-13 3.560e+10 0.880 31500.0 !8 Matheu et al., 2003 1,2 h-shift s->a !669 c5h9-15=c5h9-13 3.800e+10 0.670 30600.0 !8 1,3 h-shift s->a correlation from 1,2 h-shift s->s & s->a !670 c5h9-15=c5h9-14 3.560e+10 0.880 37300.0 !8 Matheu et al., 2003 1,2 h-shift p->s !671 c6h11-14=c6h11-13 3.560e+10 0.880 31500.0 !8 Matheu et al., 2003 1,2 h-shift s->a !672 c6h11-15=c6h11-13 3.800e+10 0.670 30600.0 !8 1,3 h-shift s->a correlation from 1,2 h-shift s->s & s->a !673 c6h11-14=c6h11-15 3.560e+10 0.880 39100.0 !8 Matheu et al., 2003 1,2 h-shift s->s !674 c7h13-14=c7h13-15 3.560e+10 0.880 39100.0 !8 Matheu et al., 2003 1,2 h-shift s->s !675 c7h13-14=c7h13-16 3.800e+10 0.670 38200.0 !8 Matheu et al., 2003 1,3 h-shift s->s !676 c7h13-15=c7h13-16 3.560e+10 0.880 39100.0 !8 Matheu et al., 2003 1,2 h-shift s->s !677 ch2o+c2h3co=mp2dmj 1.259e+11 0.000 07595.0 !8 henry, 2003 ch3+ch2=o !678 ch3o+ch2cco=mp2d2j 5.000e+11 0.000 -01000.0 !8 from mb mechanism !679 h+mp2t=mp2d2j 2.500e+11 0.510 02620.0 !8 !680 c2h2+ch3oco=mp2d3j 1.055e+11 0.000 07350.0 !8 from mb mechanism !681 h+mp2t=mp2d3j 2.500e+11 0.510 02620.0 !8 !682 ch2o+c3h5co=mb3dmj 1.259e+11 0.000 07595.0 !8 henry, 2003 ch3+ch2=o !683 ch3o+c2h3chco=mb3d2j 5.000e+11 0.000 -01000.0 !8 from mb mechanism !684 c2h3chco+h=c3h5co 1.000e+13 0.000 02900.0 !8 from mb mechanism !685 ch2co+c2h3=c3h5co 1.000e+11 0.000 07600.0 !8 from mb mechanism !686 c3h5-a+co=c3h5co 1.510e+11 0.000 04810.0 !8 !687 mb3dmj=mb3d2j 3.670E+12 -0.600 15300.0 !8 1,4 p->a Matheu et al., 2002 !688 c8h16-1=c3h5-a+c5h11-1 2.500E+16 0.000 71000.0 !9 Edelson et Allara, 1980 !689 c7h14-1=c3h5-a+pc4h9 2.500E+16 0.000 71000.0 !9 Edelson et Allara, 1980 !690 c3h5-a+nc3h7=c6h12-1 2.500E+16 0.000 71000.0 !9 Edelson et Allara, 1980 !691 c6h11-13+h=c6h12-1 1.000E+14 0.000 00000.0 !9 !692 c3h5-a+c2h5=c5h10-1 2.500E+16 0.000 71000.0 !9 Edelson et Allara, 1980 !693 c5h9-13+h=c5h10-1 1.000E+14 0.000 00000.0 !9 !694 c3h5-a+ch3=c4h8-1 1.350e+13 0.000 00000.0 !9 !695 c4h7-13+h=c4h8-1 1.000E+14 0.000 00000.0 !9 !696 ms6d=c3h5-a+mb4j 2.500E+16 0.000 71000.0 !9 Edelson et Allara, 1980 !697 c8h16-1=c3h6+c5h10-1 3.980e+12 0.000 57630.0 !9 King, 1979 !698 c7h14-1=c3h6+c4h8-1 3.980e+12 0.000 57630.0 !9 King, 1979 !699 c6h12-1=c3h6+c3h6 3.980e+12 0.000 57630.0 !9 King, 1979 !700 c5h10-1=c3h6+c2h4 3.980e+12 0.000 57630.0 !9 King, 1979 !701 ms6d=c3h6+mb3d 3.980e+12 0.000 57630.0 !9 King, 1979 !702 c2h3co+ch3o=mp2d 3.000e+13 0.000 00000.0 !9 !703 c2h3+ch3oco=mp2d 1.810e+13 0.000 00000.0 !9 !704 c8h17-1+o2=c8h17o2-1 4.520e+12 0.000 00000.0 !10 !705 c7h15-1+o2=c7h15o2-1 4.520e+12 0.000 00000.0 !10 !706 md2j+o2=md2o2 7.540e+12 0.000 00000.0 !10 !707 mpmj+o2=mpmo2 4.520e+12 0.000 00000.0 !10 !708 me2j+o2=me2o2 4.520e+12 0.000 00000.0 !10 !709 memj+o2=memo2 4.520e+12 0.000 00000.0 !10 !710 memo2=memooh2j 9.376e+09 0.000 22350.0 !12-I 7p !711 mpmo2=mpmooh2j 3.125e+09 0.000 19050.0 !12-I 7s !712 memooh2j=meom-2+oh 9.375e+09 0.000 07000.0 !19 oxalane !713 mpmooh2j=mpom-2+oh 9.375e+09 0.000 07000.0 !19 oxalane END