name form tmax cpig/r a b c d
methane ch4 1500 4.217 1.702 9.081 -2.164 .....
ethane c2h6 1500 6.369 1.131 19.225 -5.561 .....
propane c3h8 1500 9.011 1.213 28.785 -8.824 .....
n_butane c4h10 1500 11.928 1.935 36.915 -11.402 .....
iso_butane c4h10 1500 11.901 1.677 37.853 -11.945 .....
n_pentane c5h12 1500 14.731 2.464 45.351 -14.111 .....
n_hexane c6h14 1500 17.550 3.025 53.722 -16.791 .....
n_heptane c7h16 1500 20.361 3.570 62.127 -19.486 .....
n_octane c8h18 1500 23.174 4.108 70.567 -22.208 .....
ethylene c2h4 1500 5.325 1.424 14.394 -4.392 .....
propylene c3h6 1500 7.792 1.637 22.706 -6.915 .....
1_butene c4h8 1500 10.520 1.967 31.630 -9.873 .....
1_pentene c5h10 1500 13.437 2.691 39.753 -12.447 .....
1_hexene c6h12 1500 16.240 3.220 48.189 -15.157 .....
1_heptene c7h14 1500 19.053 3.768 56.588 -17.847 .....
1_octene c8h16 1500 21.868 4.324 64.960 -20.521 .....
acetaldehyde c2h4o 1000 6.506 1.693 17.978 -6.158 .....
acetylene c2h2 1500 5.253 6.132 1.952 ..... -1.299
benzene c6h6 1500 10.259 -0.206 39.064 -13.301 .....
1,3_butadiene c4h6 1500 10.720 2.734 26.786 -8.882 .....
cyclohexane c6h12 1500 13.121 -3.876 63.249 -20.928 .....
ethanol c2h6o 1500 8.948 3.518 20.001 -6.002 .....
ethylbenzene c8h10 1500 15.993 1.124 55.380 -18.476 .....
ethylene_oxide c2h4o 1000 5.784 -0.385 23.463 -9.296 .....
formaldehyde ch2o 1500 4.191 2.264 7.022 -1.877 .....
methanol ch4o 1500 5.547 2.211 12.216 -3.450 .....
styrene c8h8 1500 15.534 2.050 50.192 -16.662 .....
toluene c7h8 1500 12.922 0.290 47.052 -15.716 .....
air 2000 3.509 3.355 0.575 ..... -0.016
ammonia nh3 1800 4.269 3.578 3.020 ..... -0.186
bromine br2 3000 4.337 4.493 0.056 ..... -0.154
carbon_monoxide co 2500 3.507 3.376 0.557 ..... -0.031
carbon_dioxide co2 2000 4.467 5.457 1.045 ..... -1.157
carbon_disulfide cs2 1800 5.532 6.311 0.805 ..... -0.906
chlorine cl2 3000 4.082 4.442 0.089 ..... -0.344
hydrogen h2 3000 3.468 3.249 0.422 ..... 0.083
hydrogen_sulfide h2s 2300 4.114 3.931 1.490 ..... -0.232
hydrochloric_acid hcl 2000 3.512 3.156 0.623 ..... 0.151
hydrogen_cyanide hcn 2500 4.326 4.736 1.359 ..... -0.725
nitrogen n2 2000 3.502 3.280 0.593 ..... 0.040
nitrous_oxide n2o 2000 4.646 5.328 1.214 ..... -0.928
nitric_oxide no 2000 3.590 3.387 0.629 ..... 0.014
nitrogen_dioxide no2 2000 4.447 4.982 1.195 ..... -0.792
dinitrogen_tetroxide n2o4 2000 9.198 11.660 2.257 ..... -2.787
oxygen o2 2000 3.535 3.639 0.506 ..... -0.227
sulfur_dioxide so2 2000 4.796 5.699 0.801 ..... -1.015
sulfur_trioxide so3 2000 6.094 8.060 1.056 ..... -2.028
water h2o 2000 4.038 3.470 1.450 ..... 0.121
