! O. Samimi Abianeh, N. Curtis, Chih-Jen Sung, Determination of modeled luminosity-based and pressure-based ignition delay times of turbulent spray combustion, ! International Journal of Heat and Mass Transfer, 103(2016), 1297–1312 ! o.samimi@wayne.edu, samimiomid@gmail.com ELEMENTS h c o n ar END SPECIES h h2 o o2 oh h2o n2 co hco co2 ch3 ch4 ho2 h2o2 ch2o ch3o c2h4 c2h5 ch2 c2h2 c2h3 ch2co hcco ch3co ch2cho ch3cho c3h4-a c3h6 nc3h7 pc4h9 ch3coch2 c2h5cho c5h11-1 c3h5-a c3h3 c3h2 ch2(s) ch2ch2coch3 nc4h9cho c7h15-1 c7h15o2-1 c7h14ooh1-3 c7h14ooh1-3o2 nc7ket13 nc5h11cho nc5h11co nc4h9coch2 nc12h26 c12h25-2 c12h25-4 c12h25-5 c11h23-1 c10h21-1 c8h17-1 c10h20-1 c12h25o-2 c12h25o2-2 c12h25o2-4 c12h25o2-5 c11h23o2-1 c8h17o2-1 c12h25o2h-2 c12ooh2-4 c12ooh2-5 c12ooh4-2 c12ooh5-3 c12ooh5-7 c8ooh1-3 c12ooh2-4o2 c12ooh2-5o2 c12ooh4-2o2 c12ooh5-3o2 c12ooh5-7o2 c8ooh1-3o2 c12o1-4 c12ket2-4 c12ket2-5 c12ket4-2 c12ket5-3 c12ket5-7 c8ket1-3 nc8h17cho nc7h15cho c8h17coch2 c7h15coch2 END REACTIONS MOLES CAL/MOLE ch3+h(+M)=ch4(+M) 2.138E15 -0.4 0.0E0 h2/2.0/ h2o/5.0/ co/2.0/ co2/3.0/ LOW/3.31E30 -4.0E0 2.108E3/ TROE/0.0E0 1.0E-15 1.0E-15 4.0E1/ ch4+h=ch3+h2 1.727E4 3.0 8.224E3 REV/6.61E2 3.0E0 7.744E3/ ch4+oh=ch3+h2o 1.93E5 2.4 2.106E3 REV/3.199E4 2.4E0 1.678E4/ ch4+o=ch3+oh 3.15E12 0.5 1.029E4 REV/5.296E10 5.0E-1 7.715E3/ hco+oh=co+h2o 1.02E14 0.0 0.0E0 REV/2.896E15 0.0E0 1.052E5/ co+oh=co2+h 1.4E5 1.95 -1.347E3 REV/1.568E7 1.95E0 2.099E4/ h+o2=o+oh 1.97E14 0.0 1.654E4 REV/1.555E13 0.0E0 4.25E2/ o+h2=h+oh 5.08E4 2.67 6.292E3 REV/2.231E4 2.67E0 4.197E3/ o+h2o=2oh 2.97E6 2.02 1.34E4 REV/3.013E5 2.02E0 -3.85E3/ oh+h2=h+h2o 2.16E8 1.51 3.43E3 REV/9.352E8 1.51E0 1.858E4/ hco+M=h+co+M 1.86E17 -1.0 1.7E4 h2/2.5/ h2o/12.0/ co/1.9/ co2/3.8/ REV/6.467E13 0.0E0 -4.42E2/ h2o2+oh=h2o+ho2 1.0E12 0.0 0.0E0 REV/1.685E11 3.3E-1 3.146E4/ DUP c2h4+o=ch3+hco 1.02E7 1.88 1.79E2 REV/2.851E8 1.05E0 3.177E4/ h+c2h4(+M)=c2h5(+M) 1.081E12 0.45 1.822E3 h2/2.0/ h2o/5.0/ co/2.0/ co2/3.0/ LOW/1.112E34 -5.0E0 4.448E3/ TROE/1.0E0 1.0E-15 9.5E1 2.0E2/ c2h5+o2=c2h4+ho2 1.22E30 -5.76 1.01E4 REV/1.259E30 -5.63E0 2.23E4/ ch3+ho2=ch3o+oh 1.1E13 0.0 0.0E0 REV/4.78E14 -3.5E-1 2.455E4/ co+ho2=co2+oh 3.01E13 0.0 2.3E4 REV/6.435E15 -3.3E-1 8.461E4/ h2o+M=h+oh+M 1.837E27 -3.0 1.226E5 h2/2.5/ h2o/12.0/ co/1.9/ co2/3.8/ REV/2.25E22 -2.0E0 0.0E0/ h+o2(+M)=ho2(+M) 1.475E12 0.6 0.0E0 h2/2.5/ h2o/12.0/ co/1.9/ co2/3.8/ LOW/3.5E16 -4.1E-1 -1.116E3/ TROE/5.0E-1 1.0E-30 1.0E30 1.0E100/ co+o(+M)=co2(+M) 1.8E10 0.0 2.384E3 h2/2.5/ h2o/12.0/ co/1.9/ co2/3.8/ LOW/1.35E24 -2.788E0 4.191E3/ co+o2=co2+o 1.62E13 0.0 4.77E4 REV/1.433E14 0.0E0 5.392E4/ hco+h=co+h2 7.34E13 0.0 0.0E0 REV/4.813E14 0.0E0 9.0E4/ hco+o=co+oh 3.02E13 0.0 0.0E0 REV/8.697E13 0.0E0 8.79E4/ ch2o+M=hco+h+M 6.283E29 -3.57 9.32E4 REV/2.66E24 -2.57E0 4.27E2/ ch2o+oh=hco+h2o 3.43E9 1.18 -4.47E2 REV/1.186E9 1.18E0 2.938E4/ ch2o+h=hco+h2 9.334E8 1.5 2.976E3 REV/7.453E7 1.5E0 1.765E4/ ch2o+o=hco+oh 4.16E11 0.57 2.762E3 REV/1.459E10 5.7E-1 1.534E4/ ch3+oh=ch2o+h2 2.25E13 0.0 4.3E3 REV/6.756E14 0.0E0 7.602E4/ ch3+o=ch2o+h 8.0E13 0.0 0.0E0 REV/1.055E15 0.0E0 6.963E4/ ch3+o2=ch3o+o 1.995E18 -1.57 2.921E4 REV/3.585E18 -1.59E0 -1.631E3/ ch2o+ch3=hco+ch4 3.636E-6 5.42 9.98E2 REV/7.584E-6 5.42E0 1.615E4/ hco+ch3=ch4+co 1.21E14 0.0 0.0E0 REV/2.073E16 0.0E0 9.048E4/ ch3o(+M)=ch2o+h(+M) 5.45E13 0.0 1.35E4 LOW/2.344E25 -2.7E0 3.06E4/ c2h4(+M)=c2h2+h2(+M) 1.8E13 0.0 7.6E4 LOW/1.5E15 0.0E0 5.5443E4/ ho2+o=oh+o2 3.25E13 0.0 0.0E0 REV/7.857E14 -3.3E-1 5.539E4/ hco+ho2=ch2o+o2 2.974E10 0.33 -3.861E3 REV/2.05E13 0.0E0 3.895E4/ ch3o+o2=ch2o+ho2 5.5E10 0.0 2.424E3 REV/1.318E9 3.5E-1 3.139E4/ ch3+ho2=ch4+o2 3.6E12 0.0 0.0E0 REV/5.177E15 -3.3E-1 5.796E4/ hco+o2=co+ho2 7.58E12 0.0 4.1E2 REV/9.029E11 3.3E-1 3.293E4/ ho2+h=2oh 7.08E13 0.0 3.0E2 REV/1.352E14 -3.3E-1 3.957E4/ ho2+h=h2+o2 1.66E13 0.0 8.2E2 REV/9.138E14 -3.3E-1 5.83E4/ ho2+oh=h2o+o2 2.89E13 0.0 -5.0E2 REV/6.888E15 -3.3E-1 7.214E4/ h2o2+o2=2ho2 5.942E17 -0.66 5.315E4 REV/4.2E14 0.0E0 1.198E4/ DUP 2oh(+M)=h2o2(+M) 1.236E14 -0.37 0.0E0 h2/2.5/ h2o/12.0/ co/1.9/ co2/3.8/ LOW/3.041E30 -4.63E0 2.049E3/ TROE/4.7E-1 1.0E2 2.0E3 1.0E15/ h2o2+h=h2o+oh 2.41E13 0.0 3.97E3 REV/7.75E12 0.0E0 7.47E4/ ch4+ho2=ch3+h2o2 3.42E11 0.0 1.929E4 REV/3.365E11 -3.3E-1 2.502E3/ ch2o+ho2=hco+h2o2 5.82E-3 4.53 6.557E3 REV/1.194E-2 4.2E0 4.921E3/ oh+M=o+h+M 3.909E22 -2.0 1.053E5 h2/2.5/ h2o/12.0/ co/1.9/ co2/3.8/ REV/4.72E18 -1.0E0 0.0E0/ o2+M=2o+M 6.473E20 -1.5 1.215E5 h2/2.5/ h2o/12.0/ co/1.9/ co2/3.8/ REV/6.17E15 -5.0E-1 0.0E0/ h2+M=2h+M 4.57E19 -1.4 1.044E5 h2/2.5/ h2o/12.0/ co/1.9/ co2/3.8/ REV/2.423E15 -4.0E-1 -3.04E3/ c2h3+h(+M)=c2h4(+M) 6.1E12 0.27 2.8E2 LOW/9.8E29 -3.86E0 3.32E3/ TROE/7.82E-1 2.08E2 2.663E3 6.095E3/ c2h5+c2h3=2c2h4 5.765E14 -0.63 2.49E3 REV/4.82E14 0.0E0 7.153E4/ c2h2+h(+M)=c2h3(+M) 3.11E11 0.58 2.589E3 h2/2.0/ h2o/5.0/ co/2.0/ co2/3.0/ LOW/2.254E40 -7.269E0 6.577E3/ TROE/1.0E0 1.0E-15 6.75E2 1.0E15/ c2h4+h=c2h3+h2 8.42E-3 4.62 2.583E3 REV/5.723E-1 3.79E0 3.233E3/ c2h4+oh=c2h3+h2o 2.05E13 0.0 5.95E3 REV/6.033E15 -8.3E-1 2.176E4/ c2h2+o2=hcco+oh 2.0E8 1.5 3.01E4 REV/2.232E5 1.5E0 2.54E4/ ch2+o2=co+h2o 7.28E19 -2.54 1.809E3 REV/8.508E20 -2.54E0 1.798E5/ c2h2+o=ch2+co 6.12E6 2.0 1.9E3 REV/1.152E6 2.0E0 5.257E4/ ch2+o2=hco+oh 1.29E20 -3.3 2.84E2 REV/5.31E19 -3.3E0 7.317E4/ ch2+o=>co+2h 5.0E13 0.0 0.0E0 ch2+o2=>co2+2h 3.29E21 -3.3 2.868E3 c2h3+o2=c2h2+ho2 2.12E-6 6.0 9.484E3 REV/1.114E-7 6.33E0 1.757E4/ h2o2+o=oh+ho2 9.55E6 2.0 3.97E3 REV/1.632E5 2.33E0 1.818E4/ c2h2+o=hcco+h 1.43E7 2.0 1.9E3 REV/2.021E5 2.0E0 1.331E4/ c2h2+oh=ch2co+h 2.19E-4 4.5 -1.0E3 REV/2.161E-3 4.5E0 1.966E4/ ch2co+h=ch3+co 1.1E13 0.0 3.4E3 REV/2.4E12 0.0E0 4.02E4/ ch2co+o=ch2+co2 1.75E12 0.0 1.35E3 REV/3.739E12 0.0E0 5.369E4/ ch2+o2=ch2o+o 3.29E21 -3.3 2.868E3 REV/3.862E22 -3.3E0 6.318E4/ ch2co(+M)=ch2+co(+M) 3.0E14 0.0 7.098E4 LOW/3.6E15 0.0E0 5.927E4/ ch2co+o=hcco+oh 1.0E13 0.0 8.0E3 REV/1.432E10 0.0E0 -1.255E3/ ch2co+oh=hcco+h2o 1.0E13 0.0 2.0E3 REV/1.412E11 0.0E0 9.995E3/ ch2co+h=hcco+h2 2.0E14 0.0 8.0E3 REV/6.522E11 0.0E0 8.4E2/ hcco+oh=2hco 1.0E13 0.0 0.0E0 REV/2.411E14 0.0E0 4.036E4/ hcco+h=ch2(s)+co 1.1E14 0.0 0.0E0 REV/2.046E12 8.9E-1 2.783E4/ hcco+o=>h+2co 8.0E13 0.0 0.0E0 ch2+o2=co2+h2 1.01E21 -3.3 1.508E3 REV/3.054E23 -3.3E0 1.867E5/ ch3+c2h3=ch4+c2h2 3.92E11 0.0 0.0E0 REV/2.962E13 0.0E0 6.605E4/ ch3+c2h5=ch4+c2h4 1.95E13 -0.5 0.0E0 REV/2.895E16 -7.0E-1 7.017E4/ c2h3+h=c2h2+h2 2.0E13 0.0 2.5E3 REV/1.331E13 0.0E0 6.808E4/ c2h5+h=2ch3 3.61E13 0.0 0.0E0 REV/5.446E16 -1.03E0 1.698E4/ c2h3+o2=ch2o+hco 1.7E29 -5.31 6.5E3 REV/1.657E29 -5.31E0 9.305E4/ c2h4+ch3=c2h3+ch4 6.62E0 3.7 9.5E3 REV/1.44E0 4.02E0 5.472E3/ ch3co(+M)=ch3+co(+M) 3.0E12 0.0 1.672E4 LOW/1.2E15 0.0E0 1.2518E4/ ch3cho=ch3+hco 2.614E15 0.15 8.055E4 REV/2.0E13 0.0E0 0.0E0/ ch3cho+o2=ch3co+ho2 3.01E13 0.0 3.915E4 REV/8.552E10 3.2E-1 -1.94E3/ ch3cho+oh=ch3co+h2o 2.0E6 1.8 1.3E3 REV/1.354E6 1.79E0 3.285E4/ ch3cho+h=ch3co+h2 1.34E13 0.0 3.3E3 REV/2.096E12 -1.0E-2 1.969E4/ ch3cho+o=ch3co+oh 5.94E12 0.0 1.868E3 REV/4.08E11 -1.0E-2 1.617E4/ ch3cho+ho2=ch3co+h2o2 3.01E12 0.0 1.192E4 REV/1.21E13 -3.4E-1 1.201E4/ ch3cho+ch3=ch3co+ch4 2.608E6 1.78 5.911E3 REV/1.066E7 1.77E0 2.278E4/ c3h5-a=c2h2+ch3 2.397E48 -9.9 8.208E4 REV/2.61E46 -9.82E0 3.695E4/ c3h6=c2h3+ch3 2.73E62 -13.28 1.232E5 REV/4.712E59 -1.319E1 2.954E4/ c2h2+ch3=c3h4-a+h 6.74E19 -2.08 3.159E4 REV/1.149E16 -7.0E-1 1.579E4/ c3h6=c3h5-a+h 2.01E61 -13.26 1.185E5 REV/4.887E56 -1.225E1 2.808E4/ c3h6+o=ch2co+ch3+h 2.5E7 1.76 7.6E1 REV/1.0E0 0.0E0 0.0E0/ c3h6+o=c2h5+hco 1.58E7 1.76 -1.216E3 REV/1.402E5 1.88E0 2.651E4/ c3h6+ho2=c3h5-a+h2o2 1.5E11 0.0 1.419E4 REV/5.867E5 1.33E0 9.759E3/ c3h6+oh=c3h5-a+h2o 3.12E6 2.0 -2.98E2 REV/6.194E6 2.01E0 3.188E4/ c2h4+o2=c2h3+ho2 4.0E13 0.0 5.82E4 REV/4.939E13 -5.0E-1 1.368E3/ ch2o+M=co+h2+M 1.826E32 -4.42 8.712E4 REV/5.07E27 -3.42E0 8.435E4/ nc3h7=ch3+c2h4 2.284E14 -0.55 2.84E4 REV/4.1E11 0.0E0 7.204E3/ nc3h7=h+c3h6 2.667E15 -0.64 3.682E4 REV/1.0E13 0.0E0 2.5E3/ nc3h7+o2=c3h6+ho2 3.0E11 0.0 3.0E3 REV/2.0E11 0.0E0 1.75E4/ c3h6+o=c3h5-a+oh 5.24E11 0.7 5.884E3 REV/1.055E11 7.1E-1 2.082E4/ c3h6+h=c3h5-a+h2 1.73E5 2.5 2.492E3 REV/7.933E4 2.51E0 1.952E4/ c3h6+h=c2h4+ch3 4.83E33 -5.81 1.85E4 REV/2.313E33 -5.9E0 3.162E4/ pc4h9=c2h5+c2h4 7.497E17 -1.41 2.958E4 REV/3.3E11 0.0E0 7.2E3/ ch3coch2=ch2co+ch3 1.0E14 0.0 3.1E4 REV/1.0E11 0.0E0 6.0E3/ c2h5cho=c2h5+hco 9.85E18 -0.73 8.171E4 REV/1.81E13 0.0E0 0.0E0/ h2o2+h=h2+ho2 4.82E13 0.0 7.95E3 REV/1.875E12 3.3E-1 2.426E4/ hco+o=co2+h 3.0E13 0.0 0.0E0 REV/9.677E15 0.0E0 1.102E5/ ch3+M=ch2+h+M 1.968E16 0.0 9.252E4 REV/2.107E11 1.0E0 -1.962E4/ ch3+h=ch2+h2 9.0E13 0.0 1.51E4 REV/1.818E13 0.0E0 1.04E4/ ch3+oh=ch2+h2o 3.0E6 2.0 2.5E3 REV/2.623E6 2.0E0 1.296E4/ ch3co+h=ch2co+h2 2.0E13 0.0 0.0E0 REV/5.626E17 -1.13E0 6.37E4/ ch3co+o=ch2co+oh 2.0E13 0.0 0.0E0 REV/5.951E18 -1.13E0 1.207E5/ ch3co+ch3=ch2co+ch4 5.0E13 0.0 0.0E0 REV/8.197E17 -6.7E-1 7.983E4/ c2h4+o=ch2cho+h 3.39E6 1.88 1.79E2 REV/9.481E6 1.79E0 1.605E4/ c2h5+o=ch3cho+h 5.0E13 0.0 0.0E0 REV/5.505E14 1.1E-1 7.439E4/ c5h11-1=c2h4+nc3h7 7.972E17 -1.44 2.979E4 REV/3.3E11 0.0E0 7.2E3/ h2o2+o2=2ho2 1.839E14 -0.66 3.954E4 REV/1.3E11 0.0E0 -1.629E3/ DUP c2h3+o2=ch2cho+o 3.5E14 -0.61 5.26E3 REV/2.589E12 1.2E-1 6.459E3/ c3h2+o2=>hcco+co+h 5.0E13 0.0 0.0E0 h2o2+oh=h2o+ho2 5.8E14 0.0 9.56E3 REV/9.771E13 3.3E-1 4.102E4/ DUP ch3+oh=ch2(s)+h2o 2.65E13 0.0 2.186E3 REV/3.236E10 8.9E-1 1.211E3/ c3h4-a+ho2=c2h4+co+oh 1.0E12 0.0 1.4E4 REV/1.0E0 0.0E0 0.0E0/ c3h4-a+ho2=c3h3+h2o2 3.0E13 0.0 1.4E4 REV/1.551E16 -1.38E0 4.4E4/ c3h6+o2=c3h5-a+ho2 4.0E12 0.0 3.99E4 REV/3.332E10 3.4E-1 -5.56E2/ c3h6+ch3=c3h5-a+ch4 2.21E0 3.5 5.675E3 REV/2.647E1 3.51E0 2.318E4/ c3h5-a+ho2=c2h3+ch2o+oh 1.0E-18 0.0 0.0E0 REV/1.0E-30 0.0E0 0.0E0/ c3h5-a+h=c3h4-a+h2 1.81E13 0.0 0.0E0 REV/1.23E13 1.2E-1 4.723E4/ c3h5-a+ch3=c3h4-a+ch4 1.0E11 0.0 0.0E0 REV/4.921E12 5.0E-2 4.778E4/ c3h5-a+c2h5=c2h4+c3h6 4.0E11 0.0 0.0E0 REV/6.937E16 -1.33E0 5.28E4/ c3h5-a+c2h3=c2h4+c3h4-a 1.0E12 0.0 0.0E0 REV/1.624E13 5.0E-2 4.819E4/ c3h4-a+c3h6=2c3h5-a 8.391E17 -1.29 3.369E4 REV/1.0E12 0.0E0 0.0E0/ c3h4-a+M=c3h3+h+M 1.143E17 0.0 7.0E4 REV/1.798E15 -3.8E-1 1.061E4/ c3h4-a+o2=c3h3+ho2 4.0E13 0.0 3.916E4 REV/1.175E11 3.0E-1 3.8E1/ c3h4-a+ho2=ch2co+ch2+oh 4.0E12 0.0 1.9E4 REV/1.0E0 0.0E0 0.0E0/ c3h3+h=c3h2+h2 5.0E13 0.0 0.0E0 REV/3.853E10 3.8E-1 4.6E3/ c3h4-a+oh=c3h3+h2o 1.0E7 2.0 1.0E3 REV/7.003E6 1.97E0 3.452E4/ c3h4-a+o=c2h4+co 7.8E12 0.0 1.6E3 REV/8.28E13 -2.1E-1 1.248E5/ c3h2+oh=c2h2+hco 5.0E13 0.0 0.0E0 REV/2.907E20 -1.39E0 7.852E4/ c3h5-a=c3h4-a+h 6.663E15 -0.43 6.322E4 REV/2.4E11 6.9E-1 3.007E3/ c3h4-a+h=c3h3+h2 2.0E7 2.0 5.0E3 REV/3.235E6 1.97E0 2.336E4/ c3h4-a+ch3=c3h3+ch4 3.67E-2 4.01 6.83E3 REV/1.551E-1 3.98E0 2.567E4/ c3h4-a+c3h5-a=c3h3+c3h6 2.0E11 0.0 7.7E3 REV/2.644E19 -2.71E0 4.214E4/ c3h3+oh=c3h2+h2o 1.0E13 0.0 0.0E0 REV/1.343E15 0.0E0 1.568E4/ c3h3+o2=ch2co+hco 3.01E10 0.0 2.87E3 REV/4.881E11 0.0E0 5.947E4/ ch2cho=ch2co+h 3.094E15 -0.26 5.082E4 REV/5.0E13 0.0E0 1.23E4/ ch2cho+o2=>ch2o+co+oh 2.0E13 0.0 4.2E3 c3h5-a+o2=c3h4-a+ho2 2.18E21 -2.85 3.076E4 REV/2.69E19 -2.4E0 2.05E4/ c3h5-a+o2=ch2cho+ch2o 7.14E15 -1.21 2.105E4 REV/4.944E16 -1.4E0 8.862E4/ c3h5-a+o2=>c2h2+ch2o+oh 9.72E29 -5.71 2.145E4 hcco+o2=co2+hco 2.4E11 0.0 -8.54E2 REV/1.474E14 0.0E0 1.336E5/ ch3+o2=ch2o+oh 7.47E11 0.0 1.425E4 REV/7.778E11 0.0E0 6.777E4/ c2h4+h2=2ch3 3.767E12 0.83 8.471E4 REV/1.0E14 0.0E0 3.2E4/ ch2ch2coch3=c2h4+ch3co 5.97E12 0.0 2.073E4 REV/2.11E11 0.0E0 7.35E3/ ch2(s)+M=ch2+M 1.0E13 0.0 0.0E0 REV/7.161E15 -8.9E-1 1.143E4/ ch2(s)+ch4=2ch3 4.0E13 0.0 0.0E0 REV/5.429E15 -8.9E-1 1.565E4/ ch2(s)+o2=>co+oh+h 7.0E13 0.0 0.0E0 ch2(s)+h2=ch3+h 7.0E13 0.0 0.0E0 REV/2.482E17 -8.9E-1 1.613E4/ ch2(s)+o=>co+2h 3.0E13 0.0 0.0E0 ch2(s)+oh=ch2o+h 3.0E13 0.0 0.0E0 REV/3.194E18 -8.9E-1 8.786E4/ ch2(s)+co2=ch2o+co 3.0E12 0.0 0.0E0 REV/2.852E15 -8.9E-1 6.552E4/ ch2(s)+ch3=c2h4+h 2.0E13 0.0 0.0E0 REV/2.671E15 -6.0E-2 6.884E4/ ch2(s)+ch2co=c2h4+co 1.6E14 0.0 0.0E0 REV/4.596E15 -6.0E-2 1.056E5/ c7h15-1=c5h11-1+c2h4 8.157E17 -1.42 3.084E4 REV/1.0E11 0.0E0 8.2E3/ c7h15o2-1=c7h15-1+o2 2.657E20 -1.67 3.54E4 REV/4.52E12 0.0E0 0.0E0/ c7h15o2-1=c7h14ooh1-3 2.5E10 0.0 2.085E4 REV/2.653E9 -1.1E-1 8.24E3/ c7h14ooh1-3o2=c7h14ooh1-3+o2 1.367E23 -2.37 3.764E4 REV/7.54E12 0.0E0 0.0E0/ c7h14ooh1-3o2=nc7ket13+oh 2.5E10 0.0 2.14E4 REV/3.303E3 1.41E0 4.504E4/ nc7ket13=>nc4h9cho+ch2cho+oh 1.05E16 0.0 4.16E4 nc5h11cho+o2=nc5h11co+ho2 2.0E13 0.5 4.22E4 REV/1.0E7 0.0E0 4.0E4/ nc5h11cho+oh=nc5h11co+h2o 2.69E10 0.76 -3.4E2 REV/1.74E10 7.6E-1 3.12E4/ nc5h11cho+h=nc5h11co+h2 4.0E13 0.0 4.2E3 REV/1.8E13 0.0E0 2.4E4/ nc5h11cho+o=nc5h11co+oh 5.0E12 0.0 1.79E3 REV/1.0E12 0.0E0 1.9E4/ nc5h11cho+ho2=nc5h11co+h2o2 2.8E12 0.0 1.36E4 REV/1.0E12 0.0E0 1.0E4/ nc5h11cho+ch3=nc5h11co+ch4 1.7E12 0.0 8.44E3 REV/1.5E13 0.0E0 2.8E4/ nc5h11co=c5h11-1+co 1.0E11 0.0 9.6E3 REV/1.0E11 0.0E0 0.0E0/ nc4h9coch2=pc4h9+ch2co 1.554E18 -1.41 4.314E4 REV/1.0E11 0.0E0 1.16E4/ c12h25-2+h=nc12h26 1.0E14 0.0 0.0E0 c12h25-4+h=nc12h26 1.0E14 0.0 0.0E0 c12h25-5+h=nc12h26 1.0E14 0.0 0.0E0 ! c11h23-1+ch3=nc12h26 1.0E13 0.0 0.0E0 c10h21-1+c2h5=nc12h26 8.0E12 0.0 0.0E0 c8h17-1+pc4h9=nc12h26 8.0E12 0.0 0.0E0 c7h15-1+c5h11-1=nc12h26 8.0E12 0.0 0.0E0 nc12h26+h=c12h25-2+h2 2.6E6 2.4 4.471E3 REV/3.928E3 2.74E0 1.126E4/ nc12h26+h=c12h25-4+h2 2.6E6 2.4 4.471E3 REV/3.928E3 2.74E0 1.126E4/ nc12h26+h=c12h25-5+h2 2.6E6 2.4 4.471E3 REV/3.928E3 2.74E0 1.126E4/ nc12h26+oh=c12h25-2+h2o 9.4E7 1.61 -3.5E1 REV/6.148E5 1.95E0 2.191E4/ nc12h26+oh=c12h25-4+h2o 9.4E7 1.61 -3.5E1 REV/6.148E5 1.95E0 2.191E4/ nc12h26+oh=c12h25-5+h2o 9.4E7 1.61 -3.5E1 REV/6.148E5 1.95E0 2.191E4/ nc12h26+o=c12h25-2+oh 9.54E4 2.71 2.106E3 REV/6.33E1 3.05E0 6.798E3/ nc12h26+o=c12h25-4+oh 9.54E4 2.71 2.106E3 REV/6.33E1 3.05E0 6.798E3/ nc12h26+o=c12h25-5+oh 9.54E4 2.71 2.106E3 REV/6.33E1 3.05E0 6.798E3/ nc12h26+ho2=c12h25-2+h2o2 1.12E13 0.0 1.769E4 REV/4.348E11 1.0E-2 8.165E3/ nc12h26+ho2=c12h25-4+h2o2 1.12E13 0.0 1.769E4 REV/4.348E11 1.0E-2 8.165E3/ nc12h26+ho2=c12h25-5+h2o2 1.12E13 0.0 1.769E4 REV/4.348E11 1.0E-2 8.165E3/ nc12h26+ch3=c12h25-2+ch4 5.41E4 2.26 7.287E3 REV/2.135E3 2.6E0 1.455E4/ nc12h26+ch3=c12h25-4+ch4 5.41E4 2.26 7.287E3 REV/2.135E3 2.6E0 1.455E4/ nc12h26+ch3=c12h25-5+ch4 5.41E4 2.26 7.287E3 REV/2.135E3 2.6E0 1.455E4/ nc12h26+o2=c12h25-2+ho2 4.0E13 0.0 5.015E4 REV/1.098E9 6.7E-1 -5.41E2/ nc12h26+o2=c12h25-4+ho2 4.0E13 0.0 5.015E4 REV/1.098E9 6.7E-1 -5.41E2/ nc12h26+o2=c12h25-5+ho2 4.0E13 0.0 5.015E4 REV/1.098E9 6.7E-1 -5.41E2/ nc12h26+c2h3=c12h25-2+c2h4 8.0E11 0.0 1.68E4 REV/2.0E12 0.0E0 2.42E4/ nc12h26+c2h3=c12h25-4+c2h4 8.0E11 0.0 1.68E4 REV/2.0E12 0.0E0 2.42E4/ nc12h26+c2h3=c12h25-5+c2h4 8.0E11 0.0 1.68E4 REV/2.0E12 0.0E0 2.42E4/ nc12h26+c12h25o2-2=c12h25-2+c12h25o2h-2 1.0E11 0.0 1.04E4 REV/1.0E11 0.0E0 1.29E4/ nc12h26+c12h25o2-2=c12h25-4+c12h25o2h-2 1.0E11 0.0 1.04E4 REV/1.0E11 0.0E0 1.29E4/ nc12h26+c12h25o2-2=c12h25-5+c12h25o2h-2 1.0E11 0.0 1.04E4 REV/1.0E11 0.0E0 1.29E4/ c2h5+c10h20-1=c12h25-4 1.0E11 0.0 8.2E3 ! ! c2h4+c8h17-1=c10h21-1 1.0E11 0.0 8.2E3 h+c10h20-1=c10h21-1 1.0E13 0.0 2.9E3 ! c10h21-1+o2=c10h20-1+ho2 3.0E-9 0.0 3.0E3 c12h25-2=c12h25-4 1.76E9 0.76 3.47E4 REV/1.76E9 7.6E-1 3.47E4/ c12h25-2=c12h25-5 3.22E9 0.13 2.07E4 REV/3.22E9 1.3E-1 2.07E4/ c12h25-4=c12h25-5 9.587E8 1.39 3.97E4 REV/9.587E8 1.39E0 3.97E4/ DUP ! estimated ! estimated c12h25-4=c12h25-5 5.0E11 -1.25 1.276E4 REV/1.6E10 -8.6E-1 1.528E4/ DUP c10h20-1+oh=>ch3cho+c8h17-1 1.0E11 0.0 -4.0E3 c10h20-1+o=>ch2cho+c8h17-1 1.0E11 0.0 -1.05E3 ! c10h20-1=c7h15-1+c3h5-a 1.0E16 0.0 7.1E4 REV/1.0E13 0.0E0 0.0E0/ c12h25o2-2=c12h25-2+o2 1.357E23 -2.36 3.767E4 REV/7.54E12 0.0E0 0.0E0/ c12h25o2-4=c12h25-4+o2 1.357E23 -2.36 3.767E4 REV/7.54E12 0.0E0 0.0E0/ c12h25o2-5=c12h25-5+o2 1.357E23 -2.36 3.767E4 REV/7.54E12 0.0E0 0.0E0/ ! c11h23o2-1=c11h23-1+o2 2.657E20 -1.67 3.54E4 REV/4.52E12 0.0E0 0.0E0/ ! c8h17o2-1=c8h17-1+o2 2.657E20 -1.67 3.54E4 REV/4.52E12 0.0E0 0.0E0/ c12h25-2+c12h25o2-2=2c12h25o-2 7.0E12 0.0 -1.0E3 REV/7.57E16 -1.12E0 3.16E4/ c12h25-2+ho2=c12h25o-2+oh 7.0E12 0.0 -1.0E3 REV/1.967E18 -1.37E0 2.889E4/ c12h25o2-2=c12ooh2-4 2.5E10 0.0 2.085E4 REV/2.653E9 -1.1E-1 8.24E3/ c12h25o2-2=c12ooh2-5 3.125E9 0.0 1.905E4 REV/3.317E8 -1.1E-1 6.44E3/ c12h25o2-4=c12ooh4-2 2.5E10 0.0 2.085E4 REV/2.653E9 -1.1E-1 8.24E3/ c12h25o2-5=c12ooh5-3 2.5E10 0.0 2.085E4 REV/2.653E9 -1.1E-1 8.24E3/ c12h25o2-5=c12ooh5-7 2.5E10 0.0 2.085E4 REV/2.653E9 -1.1E-1 8.24E3/ c8h17o2-1=c8ooh1-3 2.5E10 0.0 2.085E4 REV/2.653E9 -1.1E-1 8.24E3/ c12h25o2-2+ho2=c12h25o2h-2+o2 1.75E10 0.0 -3.275E3 REV/5.974E13 -8.5E-1 3.49E4/ c12h25o2-2+h2o2=c12h25o2h-2+ho2 2.4E12 0.0 1.0E4 REV/2.4E12 0.0E0 1.0E4/ ! 2c12h25o2-2=>2c12h25o-2+o2 1.4E16 -1.61 1.86E3 c12h25o2h-2=c12h25o-2+oh 1.25E16 0.0 4.16E4 ch3cho+c10h21-1=c12h25o-2 1.0E11 0.0 1.29E4 c12ooh2-4=>oh+ch3cho+c10h20-1 5.364E17 -1.4 2.675E4 c12ooh4-2=>oh+c3h6+nc8h17cho 1.3E18 -1.49 2.68E4 c12ooh2-4o2=c12ooh2-4+o2 1.367E23 -2.37 3.764E4 REV/7.54E12 0.0E0 0.0E0/ c12ooh2-5o2=c12ooh2-5+o2 1.367E23 -2.37 3.764E4 REV/7.54E12 0.0E0 0.0E0/ c12ooh4-2o2=c12ooh4-2+o2 1.367E23 -2.37 3.764E4 REV/7.54E12 0.0E0 0.0E0/ c12ooh5-3o2=c12ooh5-3+o2 1.367E23 -2.37 3.764E4 REV/7.54E12 0.0E0 0.0E0/ c12ooh5-7o2=c12ooh5-7+o2 1.367E23 -2.37 3.764E4 REV/7.54E12 0.0E0 0.0E0/ c8ooh1-3o2=c8ooh1-3+o2 1.367E23 -2.37 3.764E4 REV/7.54E12 0.0E0 0.0E0/ c12ooh2-4o2=c12ket2-4+oh 1.25E10 0.0 1.785E4 REV/1.615E2 1.83E0 4.42E4/ c12ooh2-5o2=c12ket2-5+oh 1.563E9 0.0 1.605E4 REV/2.019E1 1.83E0 4.24E4/ c12ooh4-2o2=c12ket4-2+oh 1.25E10 0.0 1.785E4 REV/1.615E2 1.83E0 4.42E4/ c12ooh5-3o2=c12ket5-3+oh 1.25E10 0.0 1.785E4 REV/1.615E2 1.83E0 4.42E4/ c12ooh5-7o2=c12ket5-7+oh 1.25E10 0.0 1.785E4 REV/1.615E2 1.83E0 4.42E4/ c8ooh1-3o2=c8ket1-3+oh 2.5E10 0.0 2.14E4 REV/3.303E3 1.41E0 4.504E4/ c12ket2-4=>oh+ch3coch2+nc8h17cho 1.05E16 0.0 4.16E4 c12ket2-5=>oh+ch2ch2coch3+nc7h15cho 1.05E16 0.0 4.16E4 c12ket4-2=>oh+ch3cho+c8h17coch2 1.05E16 0.0 4.16E4 c12ket5-3=>oh+c2h5cho+c7h15coch2 1.05E16 0.0 4.16E4 c12ket5-7=>oh+nc4h9coch2+nc5h11cho 1.05E16 0.0 4.16E4 c8ket1-3=>oh+ch2cho+nc5h11cho 1.05E16 0.0 4.16E4 c12o1-4+oh=>ch2cho+c10h20-1+h2o 2.5E12 0.0 0.0E0 c12o1-4+oh=>c2h4+c8h17coch2+h2o 2.5E12 0.0 0.0E0 c12o1-4+ho2=>ch2cho+c10h20-1+h2o2 5.0E12 0.0 1.77E4 c12o1-4+ho2=>c2h4+c8h17coch2+h2o2 5.0E12 0.0 1.77E4 c8h17coch2=c8h17-1+ch2co 2.0E13 0.0 3.1E4 REV/2.0E11 0.0E0 7.35E3/ c7h15coch2=c7h15-1+ch2co 2.0E13 0.0 3.1E4 REV/2.0E11 0.0E0 7.35E3/ END THERMO ALL 300.000 1000.000 5000.000 h 120186h 1 G 300.0 5000.0 1000.0 1 2.5E0 0.0E0 0.0E0 0.0E0 0.0E0 2 2.547163E4 -4.601176E-1 2.5E0 0.0E0 0.0E0 3 0.0E0 0.0E0 2.547163E4 -4.601176E-1 4 h2 121286h 2 G 300.0 5000.0 1000.0 1 2.991423E0 7.000644E-4 -5.633829E-8 -9.231578E-12 1.582752E-15 2 -8.35034E2 -1.35511E0 3.298124E0 8.249442E-4 -8.143015E-7 3 -9.475434E-11 4.134872E-13 -1.012521E3 -3.294094E0 4 o 120186o 1 G 300.0 5000.0 1000.0 1 2.54206E0 -2.755062E-5 -3.102803E-9 4.551067E-12 -4.368052E-16 2 2.92308E4 4.920308E0 2.946429E0 -1.638166E-3 2.421032E-6 3 -1.602843E-9 3.890696E-13 2.914764E4 2.963995E0 4 o2 121386o 2 G 300.0 5000.0 1000.0 1 3.697578E0 6.135197E-4 -1.258842E-7 1.775281E-11 -1.136435E-15 2 -1.23393E3 3.189166E0 3.212936E0 1.127486E-3 -5.75615E-7 3 1.313877E-9 -8.768554E-13 -1.005249E3 6.034738E0 4 oh 121286h 1o 1 G 300.0 5000.0 1000.0 1 2.88273E0 1.013974E-3 -2.276877E-7 2.174684E-11 -5.126305E-16 2 3.886888E3 5.595712E0 3.637266E0 1.85091E-4 -1.676165E-6 3 2.387203E-9 -8.431442E-13 3.606782E3 1.35886E0 4 h2o -20387h 2o 1 G 300.0 5000.0 1000.0 1 2.672146E0 3.056293E-3 -8.73026E-7 1.200996E-10 -6.391618E-15 2 -2.989921E4 6.862817E0 3.386842E0 3.474982E-3 -6.354696E-6 3 6.968581E-9 -2.506588E-12 -3.020811E4 2.590233E0 4 n2 121286n 2 G 300.0 5000.0 1000.0 1 2.92664E0 1.487977E-3 -5.684761E-7 1.009704E-10 -6.753351E-15 2 -9.227977E2 5.980528E0 3.298677E0 1.40824E-3 -3.963222E-6 3 5.641515E-9 -2.444855E-12 -1.0209E3 3.950372E0 4 co 121286o 1c 1 G 300.0 5000.0 1000.0 1 3.025078E0 1.442689E-3 -5.630828E-7 1.018581E-10 -6.910952E-15 2 -1.426835E4 6.108218E0 3.262452E0 1.511941E-3 -3.881755E-6 3 5.581944E-9 -2.474951E-12 -1.431054E4 4.848897E0 4 hco 121286h 1o 1c 1 G 300.0 5000.0 1000.0 1 3.557271E0 3.345573E-3 -1.335006E-6 2.470573E-10 -1.713851E-14 2 3.916324E3 5.552299E0 2.89833E0 6.199147E-3 -9.623084E-6 3 1.089825E-8 -4.574885E-12 4.159922E3 8.983614E0 4 co2 121286o 2c 1 G 300.0 5000.0 1000.0 1 4.453623E0 3.140169E-3 -1.278411E-6 2.393997E-10 -1.669033E-14 2 -4.896696E4 -9.553959E-1 2.275725E0 9.922072E-3 -1.040911E-5 3 6.866687E-9 -2.11728E-12 -4.837314E4 1.018849E1 4 ch3 121286h 3c 1 G 300.0 5000.0 1000.0 1 2.844052E0 6.137974E-3 -2.230345E-6 3.785161E-10 -2.452159E-14 2 1.643781E4 5.452697E0 2.430443E0 1.11241E-2 -1.68022E-5 3 1.621829E-8 -5.864953E-12 1.642378E4 6.789794E0 4 ch4 121286h 4c 1 G 300.0 5000.0 1000.0 1 1.683479E0 1.023724E-2 -3.875129E-6 6.785585E-10 -4.503423E-14 2 -1.008079E4 9.623395E0 7.787415E-1 1.747668E-2 -2.783409E-5 3 3.049708E-8 -1.223931E-11 -9.825229E3 1.372219E1 4 ho2 -20387h 1o 2 G 300.0 5000.0 1000.0 1 4.072191E0 2.131296E-3 -5.308145E-7 6.112269E-11 -2.841165E-15 2 -1.579727E2 3.476029E0 2.979963E0 4.996697E-3 -3.790997E-6 3 2.354192E-9 -8.089024E-13 1.762274E2 9.222724E0 4 h2o2 120186h 2o 2 G 300.0 5000.0 1000.0 1 4.573167E0 4.336136E-3 -1.474689E-6 2.348904E-10 -1.431654E-14 2 -1.800696E4 5.01137E-1 3.388754E0 6.569226E-3 -1.485013E-7 3 -4.625806E-9 2.471515E-12 -1.766315E4 6.785363E0 4 ch2o -21286h 2o 1c 1 G 300.0 5000.0 1000.0 1 2.995606E0 6.681321E-3 -2.628955E-6 4.737153E-10 -3.212517E-14 2 -1.532037E4 6.912572E0 1.652731E0 1.263144E-2 -1.888168E-5 3 2.050031E-8 -8.413237E-12 -1.48654E4 1.378482E1 4 ch3o 121686h 3o 1c 1 G 300.0 3000.0 1000.0 1 3.7708E0 7.871497E-3 -2.656384E-6 3.944431E-10 -2.112616E-14 2 1.278325E2 2.929575E0 2.106204E0 7.216595E-3 5.338472E-6 3 -7.377636E-9 2.075611E-12 9.786011E2 1.315218E1 4 c2h6 121686h 6c 2 G 300.0 4000.0 1000.0 1 4.825938E0 1.384043E-2 -4.557259E-6 6.724967E-10 -3.598161E-14 2 -1.271779E4 -5.239507E0 1.462539E0 1.549467E-2 5.780507E-6 3 -1.257832E-8 4.586267E-12 -1.123918E4 1.443229E1 4 c2h4 121286h 4c 2 G 300.0 5000.0 1000.0 1 3.528419E0 1.148518E-2 -4.418385E-6 7.844601E-10 -5.266848E-14 2 4.428289E3 2.230389E0 -8.61488E-1 2.796163E-2 -3.388677E-5 3 2.785152E-8 -9.737879E-12 5.573046E3 2.421149E1 4 c2h5 -12387h 5c 2 G 300.0 5000.0 1000.0 1 7.19048E0 6.484077E-3 -6.428065E-7 -2.347879E-10 3.880877E-14 2 1.067455E4 -1.478089E1 2.690702E0 8.719133E-3 4.419839E-6 3 9.338703E-10 -3.927773E-12 1.28704E4 1.21382E1 4 ch2 120186h 2c 1 G 250.0 4000.0 1000.0 1 3.636408E0 1.933057E-3 -1.687016E-7 -1.009899E-10 1.808256E-14 2 4.534134E4 2.156561E0 3.762237E0 1.159819E-3 2.489585E-7 3 8.800836E-10 -7.332435E-13 4.536791E4 1.712578E0 4 ch 121286h 1c 1 G 300.0 5000.0 1000.0 1 2.196223E0 2.340381E-3 -7.058201E-7 9.007582E-11 -3.85504E-15 2 7.086723E4 9.178373E0 3.200202E0 2.072876E-3 -5.134431E-6 3 5.73389E-9 -1.955533E-12 7.045259E4 3.331588E0 4 c2h -81193h 1c 2 G 300.0 4000.0 1000.0 1 3.986367E0 3.143123E-3 -1.267243E-6 2.924363E-10 -2.71632E-14 2 6.655884E4 1.191063E0 2.737704E0 8.048446E-3 -9.24431E-6 3 6.525259E-9 -1.93958E-12 6.683813E4 7.30022E0 4 c2h2 121386h 2c 2 G 300.0 5000.0 1000.0 1 4.43677E0 5.376039E-3 -1.912817E-6 3.286379E-10 -2.15671E-14 2 2.566766E4 -2.800338E0 2.013562E0 1.519045E-2 -1.616319E-5 3 9.078992E-9 -1.912746E-12 2.612444E4 8.805378E0 4 c2h3 -12787h 3c 2 G 300.0 5000.0 1000.0 1 5.933468E0 4.017746E-3 -3.96674E-7 -1.441267E-10 2.378644E-14 2 3.185435E4 -8.530313E0 2.459276E0 7.371476E-3 2.109873E-6 3 -1.321642E-9 -1.184784E-12 3.335225E4 1.15562E1 4 ch3oh 121686h 4o 1c 1 G 300.0 5000.0 1000.0 1 4.029061E0 9.376593E-3 -3.050254E-6 4.358793E-10 -2.224723E-14 2 -2.615791E4 2.378196E0 2.660115E0 7.341508E-3 7.170051E-6 3 -8.793194E-9 2.39057E-12 -2.535348E4 1.123263E1 4 ch2oh 120186h 3o 1c 1 G 250.0 4000.0 1000.0 1 6.32752E0 3.608271E-3 -3.201547E-7 -1.93875E-10 3.509705E-14 2 -4.474509E3 -8.329366E0 2.862628E0 1.001527E-2 -5.285436E-7 3 -5.13854E-9 2.246041E-12 -3.349679E3 1.039794E1 4 ch2co 121686h 2o 1c 2 G 300.0 5000.0 1000.0 1 6.038817E0 5.80484E-3 -1.920954E-6 2.794485E-10 -1.458868E-14 2 -8.583402E3 -7.657581E0 2.974971E0 1.211871E-2 -2.345046E-6 3 -6.466685E-9 3.905649E-12 -7.632637E3 8.673553E0 4 hcco -32387h 1o 1c 2 G 300.0 4000.0 1000.0 1 6.758073E0 2.0004E-3 -2.027607E-7 -1.041132E-10 1.965165E-14 2 1.901513E4 -9.071262E0 5.047965E0 4.453478E-3 2.268283E-7 3 -1.482095E-9 2.250742E-13 1.965892E4 4.818439E-1 4 sc2h4oh -thermh 5o 1c 2 G 300.0 5000.0 1392.0 1 7.83524517E0 1.08808198E-2 -3.68694127E-6 5.68601361E-10-3.28288951E-14 2 -1.07534311E4 -1.53495702E1 1.91496477E0 2.45693145E-2 -1.63075399E-5 3 6.12282361E-9-1.00784363E-12 -8.62161551E3 1.65987309E1 4 ch3co 120186h 3o 1c 2 G 300.0 5000.0 1000.0 1 5.612279E0 8.449886E-3 -2.854147E-6 4.238376E-10 -2.268404E-14 2 -5.187863E3 -3.274949E0 3.125278E0 9.77822E-3 4.521448E-6 3 -9.009462E-9 3.193718E-12 -4.108508E3 1.122885E1 4 ch2cho -28-99h 3o 1c 2 G 300.0 5000.0 1380.0 1 7.59510378E0 6.87889086E-3 -2.41175399E-6 3.80699662E-10 -2.2344683E-14 2 -1.88934155E3 -1.66958732E1 1.65214366E0 1.9635689E-2 -1.26868049E-5 3 4.10229425E-9-5.39149963E-13 3.09109769E2 1.56586657E1 4 ch3cho h 4o 1c 2 G 300.0 5000.0 1366.0 1 7.06734034E0 9.72785577E-3 -3.36197228E-6 5.25639518E-10-3.06473991E-14 2 -2.32754287E4 -1.33686458E1 1.98023941E0 1.69300955E-2 -4.36472545E-6 3 -1.70119601E-9 7.72360943E-13 -2.10195065E4 1.56487028E1 4 c3h4-a 101993h 4c 3 G 300.0 4000.0 1400.0 1 9.776256E0 5.302138E-3 -3.701118E-7 -3.026386E-10 5.089581E-14 2 1.954972E4 -3.077061E1 2.539831E0 1.633437E-2 -1.76495E-6 3 -4.647365E-9 1.729131E-12 2.251243E4 9.935702E0 4 c3h4-p 101993h 4c 3 G 300.0 4000.0 1400.0 1 9.768102E0 5.219151E-3 -3.75314E-7 -2.992191E-10 5.107878E-14 2 1.860277E4 -3.020678E1 3.02973E0 1.498961E-2 -1.3985E-6 3 -3.969619E-9 1.388217E-12 2.148408E4 8.004594E0 4 c3h6 -thermh 6c 3 G 300.0 5000.0 1388.0 1 8.01595958E0 1.37023634E-2 -4.66249733E-6 7.21254402E-10-4.17370126E-14 2 -1.87821271E3 -2.00160668E1 3.94615444E-1 2.89107662E-2 -1.54886808E-5 3 3.88814209E-9-3.37890352E-13 1.06688164E3 2.19003736E1 4 c4h6 -thermh 6c 4 G 300.0 5000.0 1398.0 1 1.11633789E1 1.37163965E-2 -4.69715783E-6 7.29693836E-10-4.23486203E-14 2 7.7903977E3 -3.69847949E1 -1.43095121E0 4.78706062E-2 -4.154468E-5 3 1.91549552E-8-3.57158507E-12 1.17551314E4 2.90825833E1 4 nc3h7 120186h 7c 3 G 300.0 5000.0 1000.0 1 7.978291E0 1.576113E-2 -5.173243E-6 7.443892E-10 -3.824978E-14 2 7.579402E3 -1.935611E1 1.922537E0 2.478927E-2 1.810249E-6 3 -1.783266E-8 8.582996E-12 9.713281E3 1.399271E1 4 ic3h7 120186h 7c 3 G 300.0 5000.0 1000.0 1 8.063369E0 1.574488E-2 -5.182392E-6 7.477245E-10 -3.854422E-14 2 5.313871E3 -2.192647E1 1.7133E0 2.542616E-2 1.580808E-6 3 -1.821286E-8 8.82771E-12 7.535809E3 1.297901E1 4 c3h8 120186h 8c 3 G 300.0 5000.0 1000.0 1 7.525217E0 1.889034E-2 -6.283924E-6 9.179373E-10 -4.81241E-14 2 -1.646455E4 -1.78439E1 8.969208E-1 2.668986E-2 5.431425E-6 3 -2.126001E-8 9.24333E-12 -1.395492E4 1.935533E1 4 ic4h7 -thermh 7c 4 G 300.0 5000.0 1393.0 1 1.16382753E1 1.57681299E-2 -5.38538858E-6 8.35172927E-10-4.84141083E-14 2 1.05471642E4 -3.9025989E1 -7.20881697E-4 4.3649573E-2 -3.16385877E-5 3 1.23984983E-8 -2.0437836E-12 1.45717785E4 2.3323434E1 4 ic4h8 -thermh 8c 4 G 300.0 5000.0 1388.0 1 1.1225833E1 1.81795798E-2 -6.20348592E-6 9.61444458E-10-5.57088057E-14 2 -7.69983777E3 -3.73306704E1 9.38433173E-1 3.90547287E-2 -2.16437148E-5 3 5.87267077E-9-6.14435479E-13 -3.74817891E3 1.91442985E1 4 c4h7 h 7c 4 G 300.0 5000.0 1392.0 1 1.12103578E1 1.60483196E-2 -5.46502292E-6 8.45941053E-10-4.89772739E-14 2 1.09041937E4 -3.55593015E1 -3.50508352E-1 4.26511243E-2 -2.90979373E-5 3 1.05403914E-8-1.60059854E-12 1.49933591E4 2.67295696E1 4 c4h8-1 -thermh 8c 4 G 300.0 5000.0 1392.0 1 1.13508668E1 1.80617877E-2 -6.16093029E-6 9.54652959E-10-5.53089641E-14 2 -5.97871038E3 -3.64369438E1 -8.31372089E-1 4.52580978E-2 -2.93658559E-5 3 1.00220436E-8 -1.4319168E-12 -1.57875035E3 2.95084236E1 4 pc4h9 -thermh 9c 4 G 300.0 5000.0 1395.0 1 1.21510082E1 1.94310717E-2 -6.6157795E-6 1.02375136E-9-5.92529707E-14 2 3.17231942E3 -3.93425822E1 -4.37779725E-1 4.78972364E-2 -3.14023159E-5 3 1.09786472E-8-1.62010664E-12 7.68945248E3 2.86852732E1 4 c4h10 -thermh 10c 4 G 300.0 5000.0 1389.0 1 1.25055526E1 2.17524393E-2 -7.43384945E-6 1.15331684E-9-6.68749762E-14 2 -2.19479302E4 -4.44902356E1 -5.95684473E-1 4.89605743E-2 -2.82670269E-5 3 8.1359806E-9-9.29098101E-13 -1.69934308E4 2.71845212E1 4 ch3coch2 -thermh 5o 1c 3 G 300.0 5000.0 1391.0 1 1.02303975E1 1.16494161E-2 -4.01005537E-6 6.25205246E-10-3.63784362E-14 2 -8.44380462E3 -2.7919722E1 1.80339187E0 3.01407085E-2 -1.93505552E-5 3 6.38199034E-9 -8.6610318E-13 -5.37233261E3 1.78046408E1 4 c2h5cho h 6o 1c 3 G 300.0 5000.0 1378.0 1 1.02427695E1 1.39641989E-2 -4.76248001E-6 7.38105706E-10-4.27759503E-14 2 -2.74143135E4 -2.85346843E1 2.16308444E0 2.95501264E-2 -1.52446252E-5 3 3.49503947E-9-2.38896627E-13 -2.42260137E4 1.61153348E1 4 c2h5co h 5o 1c 3 G 300.0 5000.0 1373.0 1 9.87881997E0 1.17515676E-2 -4.00614923E-6 6.20850617E-10-3.59835225E-14 2 -8.47292283E3 -2.49235196E1 2.93313946E0 2.47427911E-2 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1.19626854E-8-1.69878242E-12 -6.39547297E3 2.73911578E1 4 nc5h12 -thermh 12c 5 G 300.0 5000.0 1390.0 1 1.57257603E1 2.61086045E-2 -8.90970996E-6 1.38102248E-9-8.00296536E-14 2 -2.60519543E4 -6.03365457E1 -7.36766119E-1 6.07200973E-2 -3.57592761E-5 3 1.04907041E-8-1.21487315E-12 -1.98934934E4 2.95358286E1 4 c5h11-1 -thermh 11c 5 G 300.0 5000.0 1397.0 1 1.5323474E1 2.390412E-2 -8.14771619E-6 1.26176236E-9-7.30677335E-14 2 -9.23241637E2 -5.49528859E1 -9.05255912E-1 6.10632852E-2 -4.09491825E-5 3 1.4609347E-8-2.18859615E-12 4.83995303E3 3.25574963E1 4 c5h11-2 -thermh 11c 5 G 300.0 5000.0 1377.0 1 1.50998007E1 2.37225333E-2 -8.013889E-6 1.23431039E-9-7.12300125E-14 2 -2.33420039E3 -5.29613979E1 4.98943596E-1 5.09850184E-2 -2.40687488E-5 3 3.5946521E-9 3.01383099E-13 3.40702366E3 2.78600953E1 4 c2h5o -thermh 5o 1c 2 G 300.0 5000.0 1389.0 1 7.87339772E0 1.13072907E-2 -3.84421421E-6 5.94414105E-10-3.43894538E-14 2 -6.07274953E3 -1.7341679E1 4.94420708E-1 2.71774434E-2 -1.6590901E-5 3 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c12h25o2h-1 -thermh 26o 2c 12 G 300.0 5000.0 1391.0 1 4.31639176E1 5.77457399E-2 -1.98632438E-5 3.09541358E-9-1.80053901E-13 2 -6.7282622E4 -1.89545981E2 7.20521515E-1 1.51371277E-1 -9.79917418E-5 3 3.25886053E-8-4.45365831E-12 -5.18816742E4 4.05417815E1 4 c12h25o2h-2 -thermh 26o 2c 12 G 300.0 5000.0 1393.0 1 4.35211885E1 5.734141E-2 -1.97012399E-5 3.06776295E-9-1.78347767E-13 2 -6.9083023E4 -1.92853081E2 -1.57577024E-1 1.56510461E-1 -1.05903542E-4 3 3.73775093E-8-5.47227561E-12 -5.35286911E4 4.2909751E1 4 c12h25o2h-3 -thermh 26o 2c 12 G 300.0 5000.0 1393.0 1 4.35211885E1 5.734141E-2 -1.97012399E-5 3.06776295E-9-1.78347767E-13 2 -6.9083023E4 -1.92853081E2 -1.57577024E-1 1.56510461E-1 -1.05903542E-4 3 3.73775093E-8-5.47227561E-12 -5.35286911E4 4.2909751E1 4 c12h25o2h-5 -thermh 26o 2c 12 G 300.0 5000.0 1393.0 1 4.35211885E1 5.734141E-2 -1.97012399E-5 3.06776295E-9-1.78347767E-13 2 -6.9083023E4 -1.92853081E2 -1.57577024E-1 1.56510461E-1 -1.05903542E-4 3 3.73775093E-8-5.47227561E-12 -5.35286911E4 4.2909751E1 4 c12ooh1-3 -thermh 25o 2c 12 G 300.0 5000.0 1389.0 1 4.27762208E1 5.47963951E-2 -1.86935922E-5 2.89771159E-9 -1.6795297E-13 2 -4.35800982E4 -1.84040679E2 1.42078475E0 1.44039473E-1 -8.95663728E-5 3 2.73266131E-8-3.21225523E-12 -2.85025839E4 4.06420206E1 4 c12ooh1-4 -thermh 25o 2c 12 G 300.0 5000.0 1389.0 1 4.27762208E1 5.47963951E-2 -1.86935922E-5 2.89771159E-9 -1.6795297E-13 2 -4.35800982E4 -1.84040679E2 1.42078475E0 1.44039473E-1 -8.95663728E-5 3 2.73266131E-8-3.21225523E-12 -2.85025839E4 4.06420206E1 4 c12ooh2-4 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c12ooh2-5 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c12ooh3-1 -thermh 25o 2c 12 G 300.0 5000.0 1393.0 1 4.31030607E1 5.51987797E-2 -1.89731557E-5 2.95525234E-9-1.71842384E-13 2 -4.40191375E4 -1.8775296E2 5.91697539E-1 1.52019631E-1 -1.03495743E-4 3 3.67768541E-8-5.42225849E-12 -2.89123014E4 4.15990042E1 4 c12ooh3-4 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c12ooh3-5 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c12ooh4-1 -thermh 25o 2c 12 G 300.0 5000.0 1393.0 1 4.31030607E1 5.51987797E-2 -1.89731557E-5 2.95525234E-9-1.71842384E-13 2 -4.40191375E4 -1.8775296E2 5.91697539E-1 1.52019631E-1 -1.03495743E-4 3 3.67768541E-8-5.42225849E-12 -2.89123014E4 4.15990042E1 4 c12ooh4-2 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c12ooh4-5 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c12ooh4-6 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c12ooh4-7 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c12ooh5-3 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c12ooh5-7 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c12ooh6-4 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c12ooh6-8 -thermh 25o 2c 12 G 300.0 5000.0 1391.0 1 4.31478861E1 5.43644418E-2 -1.85191146E-5 2.86784232E-9-1.66107732E-13 2 -4.53858698E4 -1.87427283E2 5.43431244E-1 1.49159735E-1 -9.74342364E-5 3 3.20766697E-8-4.22022503E-12 -3.01492983E4 4.3009756E1 4 c9ooh1-3 -thermh 19o 2c 9 G 300.0 5000.0 1387.0 1 3.33031171E1 4.12666677E-2 -1.4043952E-5 2.17367425E-9-1.25862235E-13 2 -3.12997315E4 -1.37453185E2 2.0542155E0 1.07623414E-1 -6.50767807E-5 3 1.87255885E-8-1.95713815E-12 -1.98294391E4 3.26530141E1 4 c8ooh1-3 -thermh 17o 2c 8 G 300.0 5000.0 1386.0 1 3.01516942E1 3.67482122E-2 -1.24906804E-5 1.93177283E-9-1.11799171E-13 2 -2.72092925E4 -1.21960256E2 2.27328019E0 9.54480428E-2 -5.68558246E-5 3 1.58213809E-8-1.53046111E-12 -1.69395627E4 2.99535633E1 4 c12ooh1-3o2 7thermh 25o 4c 12 G 300.0 5000.0 1388.0 1 4.87897452E1 5.52855994E-2 -1.91572543E-5 3.00051469E-9 -1.7516144E-13 2 -6.50166309E4 -2.14208496E2 3.14841764E0 1.53204599E-1 -9.64230273E-5 3 2.94570879E-8-3.45152229E-12 -4.82915577E4 3.40092586E1 4 c12ooh1-4o2 7thermh 25o 4c 12 G 300.0 5000.0 1388.0 1 4.87897452E1 5.52855994E-2 -1.91572543E-5 3.00051469E-9 -1.7516144E-13 2 -6.50166309E4 -2.14208496E2 3.14841764E0 1.53204599E-1 -9.64230273E-5 3 2.94570879E-8-3.45152229E-12 -4.82915577E4 3.40092586E1 4 c12ooh2-4o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c12ooh2-5o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c12ooh3-1o2 7thermh 25o 4c 12 G 300.0 5000.0 1388.0 1 4.87897452E1 5.52855994E-2 -1.91572543E-5 3.00051469E-9 -1.7516144E-13 2 -6.50166309E4 -2.14208496E2 3.14841764E0 1.53204599E-1 -9.64230273E-5 3 2.94570879E-8-3.45152229E-12 -4.82915577E4 3.40092586E1 4 c12ooh3-4o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c12ooh3-5o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c12ooh4-2o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c12ooh4-5o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c12ooh4-6o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c12ooh4-7o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c12ooh5-3o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c12ooh5-7o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c12ooh6-4o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c12ooh6-8o2 -----7h 25o 4c 12 G 300.0 5000.0 1390.0 1 4.9201707E1 5.48623886E-2 -1.89948816E-5 2.97345006E-9-1.73515587E-13 2 -6.68466843E4 -2.17849024E2 2.33638768E0 1.58069852E-1 -1.03826438E-4 3 3.38978232E-8-4.39024721E-12 -4.99499388E4 3.60627903E1 4 c9ooh1-3o2 7thermh 19o 4c 9 G 300.0 5000.0 1388.0 1 3.91418354E1 4.18329852E-2 -1.45166337E-5 2.27591706E-9 -1.3295425E-13 2 -5.26127362E4 -1.66500468E2 3.57493997E0 1.18151306E-1 -7.46155112E-5 3 2.27317962E-8 -2.6330787E-12 -3.95970985E4 2.6896325E1 4 c8ooh1-3o2 7thermh 17o 4c 8 G 300.0 5000.0 1388.0 1 3.5916766E1 3.73517271E-2 -1.29696842E-5 2.03425618E-9-1.18872912E-13 2 -4.84712569E4 -1.5053825E2 3.70943296E0 1.06532813E-1 -6.74885336E-5 3 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4.32183852E-8-6.67483843E-12 -4.02093059E4 6.28440247E1 4 c12o3-6 h 24o 1c 12 G 300.0 5000.0 1392.0 1 3.97730645E1 5.48992076E-2 -1.90264456E-5 2.98012554E-9-1.73968179E-13 2 -6.73197434E4 -1.81712727E2 -9.72414456E0 1.726604E-1 -1.28073902E-4 3 4.98189095E-8-8.02147784E-12 -5.02302986E4 8.355207E1 4 c12o5-8 h 24o 1c 12 G 300.0 5000.0 1392.0 1 3.97730645E1 5.48992076E-2 -1.90264456E-5 2.98012554E-9-1.73968179E-13 2 -6.73197434E4 -1.81712727E2 -9.72414456E0 1.726604E-1 -1.28073902E-4 3 4.98189095E-8-8.02147784E-12 -5.02302986E4 8.355207E1 4 c8o1-3 h 16o 1c 8 G 300.0 5000.0 1393.0 1 2.63784127E1 3.7144876E-2 -1.28416202E-5 2.00806139E-9-1.17087172E-13 2 -3.8103185E4 -1.1324087E2 -5.59444106E0 1.11809299E-1 -8.01962144E-5 3 3.00297717E-8-4.65320182E-12 -2.69380803E4 5.85810485E1 4 c12ket1-3 h 24o 3c 12 G 300.0 5000.0 1391.0 1 4.44326799E1 5.40311204E-2 -1.85636954E-5 2.89078596E-9-1.68070827E-13 2 -7.86334831E4 -1.9318338E2 2.09319905E0 1.50718255E-1 -1.03321455E-4 3 3.70082886E-8 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3.96808924E-8-6.20833069E-12 -6.75273854E4 3.56781498E1 4 c12ket5-2 h 24o 3c 12 G 300.0 5000.0 1389.0 1 4.40351883E1 5.44376037E-2 -1.87185578E-5 2.91643627E-9 -1.6962261E-13 2 -8.24249864E4 -1.91355578E2 1.8725866E0 1.52046231E-1 -1.06553159E-4 3 3.96808924E-8-6.20833069E-12 -6.75273854E4 3.56781498E1 4 c12ket5-3 h 24o 3c 12 G 300.0 5000.0 1389.0 1 4.40351883E1 5.44376037E-2 -1.87185578E-5 2.91643627E-9 -1.6962261E-13 2 -8.24249864E4 -1.91355578E2 1.8725866E0 1.52046231E-1 -1.06553159E-4 3 3.96808924E-8-6.20833069E-12 -6.75273854E4 3.56781498E1 4 c12ket5-7 h 24o 3c 12 G 300.0 5000.0 1389.0 1 4.40351883E1 5.44376037E-2 -1.87185578E-5 2.91643627E-9 -1.6962261E-13 2 -8.24249864E4 -1.91355578E2 1.8725866E0 1.52046231E-1 -1.06553159E-4 3 3.96808924E-8-6.20833069E-12 -6.75273854E4 3.56781498E1 4 c12ket5-8 h 24o 3c 12 G 300.0 5000.0 1389.0 1 4.40351883E1 5.44376037E-2 -1.87185578E-5 2.91643627E-9 -1.6962261E-13 2 -8.24249864E4 -1.91355578E2 1.8725866E0 1.52046231E-1 -1.06553159E-4 3 3.96808924E-8-6.20833069E-12 -6.75273854E4 3.56781498E1 4 c12ket6-4 h 24o 3c 12 G 300.0 5000.0 1389.0 1 4.40351883E1 5.44376037E-2 -1.87185578E-5 2.91643627E-9 -1.6962261E-13 2 -8.24249864E4 -1.91355578E2 1.8725866E0 1.52046231E-1 -1.06553159E-4 3 3.96808924E-8-6.20833069E-12 -6.75273854E4 3.56781498E1 4 c12ket6-8 h 24o 3c 12 G 300.0 5000.0 1389.0 1 4.40351883E1 5.44376037E-2 -1.87185578E-5 2.91643627E-9 -1.6962261E-13 2 -8.24249864E4 -1.91355578E2 1.8725866E0 1.52046231E-1 -1.06553159E-4 3 3.96808924E-8-6.20833069E-12 -6.75273854E4 3.56781498E1 4 c12ket6-9 h 24o 3c 12 G 300.0 5000.0 1389.0 1 4.40351883E1 5.44376037E-2 -1.87185578E-5 2.91643627E-9 -1.6962261E-13 2 -8.24249864E4 -1.91355578E2 1.8725866E0 1.52046231E-1 -1.06553159E-4 3 3.96808924E-8-6.20833069E-12 -6.75273854E4 3.56781498E1 4 c9ket1-3 h 18o 3c 9 G 300.0 5000.0 1391.0 1 3.49265227E1 4.05456493E-2 -1.3931613E-5 2.16963091E-9-1.26150722E-13 2 -6.63371836E4 -1.46405371E2 2.65048145E0 1.14647994E-1 -7.93656509E-5 3 2.87453729E-8-4.32497281E-12 -5.49275303E4 2.7516328E1 4 c8ket1-3 h 16o 3c 8 G 300.0 5000.0 1391.0 1 3.17577054E1 3.60508092E-2 -1.23877493E-5 1.92927735E-9-1.12179431E-13 2 -6.22384267E4 -1.30812228E2 2.83817815E0 1.02616118E-1 -7.13679806E-5 3 2.5983652E-8-3.93001195E-12 -5.20329734E4 2.49615442E1 4 nc9h19cho -thermh 20o 1c 10 G 300.0 5000.0 1388.0 1 3.24690106E1 4.53285214E-2 -1.55212943E-5 2.41159103E-9-1.39992066E-13 2 -5.61140947E4 -1.37920886E2 5.82223288E-1 1.14923056E-1 -7.28776082E-5 3 2.37836995E-8 -3.2008197E-12 -4.4446642E4 3.52424199E1 4 nc8h17cho -thermh 18o 1c 9 G 300.0 5000.0 1387.0 1 2.93159876E1 4.08274135E-2 -1.39769225E-5 2.17133596E-9-1.26033874E-13 2 -5.20235184E4 -1.22423234E2 7.56488136E-1 1.02972015E-1 -6.49910881E-5 3 2.10892072E-8-2.82096095E-12 -4.15508169E4 3.2744441E1 4 nc7h15cho -thermh 16o 1c 8 G 300.0 5000.0 1386.0 1 2.61609074E1 3.62858837E-2 -1.24097058E-5 1.92662114E-9-1.11780863E-13 2 -4.79259983E4 -1.06895495E2 9.66850312E-1 9.08063795E-2 -5.67710469E-5 3 1.81650681E-8-2.38496879E-12 -3.86587355E4 3.00918692E1 4 nc6h13cho -thermh 14o 1c 7 G 300.0 5000.0 1385.0 1 2.30172858E1 3.17488129E-2 -1.08471869E-5 1.68296998E-9-9.76031894E-14 2 -4.38361973E4 -9.14416834E1 1.16727179E0 7.8706403E-2 -4.86434224E-5 3 1.5302262E-8 -1.9640479E-12 -3.57659062E4 2.74799549E1 4 nc9h19co -thermh 19o 1c 10 G 300.0 5000.0 1387.0 1 3.20518127E1 4.31959563E-2 -1.47990448E-5 2.30023444E-9-1.33563638E-13 2 -3.71509665E4 -1.34008317E2 1.34967121E0 1.10157703E-1 -6.98818902E-5 3 2.27536573E-8-3.04713233E-12 -2.59174459E4 3.27299115E1 4 nc8h17co -thermh 17o 1c 9 G 300.0 5000.0 1387.0 1 2.88955797E1 3.86794407E-2 -1.32455027E-5 2.05815859E-9 -1.1948405E-13 2 -3.3056453E4 -1.18484329E2 1.54176205E0 9.81000826E-2 -6.18304387E-5 3 1.9947215E-8-2.64022932E-12 -2.30234472E4 3.01557488E1 4 nc7h15co -thermh 15o 1c 8 G 300.0 5000.0 1386.0 1 2.57444491E1 3.41545888E-2 -1.16883107E-5 1.81544096E-9 -1.0536444E-13 2 -2.89638264E4 -1.02988707E2 1.73697916E0 8.60262622E-2 -5.37492409E-5 3 1.71184327E-8-2.22771849E-12 -2.01298819E4 2.7567468E1 4 c9h19coch2 -thermh 21o 1c 11 G 300.0 5000.0 1589.0 1 4.69605019E1 4.02477287E-2 -1.44534202E-5 2.31823043E-9-1.37586422E-13 2 -4.70212734E4 -2.13469747E2 9.03748469E0 9.59284881E-2 -2.33805884E-5 3 -1.48685715E-8 6.28443177E-12 -3.07363356E4 1.59857896E0 4 c8h17coch2 -thermh 19o 1c 10 G 300.0 5000.0 2042.0 1 3.84899756E1 4.26845993E-2 -1.60270313E-5 2.65608399E-9-1.61444591E-13 2 -3.97530462E4 -1.66463759E2 4.56546011E-1 1.23776239E-1 -7.54870517E-5 3 1.98898518E-8-1.67763055E-12 -2.65391204E4 3.94703005E1 4 c7h15coch2 -thermh 17o 1c 9 G 300.0 5000.0 1675.0 1 3.58965716E1 3.71930374E-2 -1.4005686E-5 2.32553498E-9-1.41539827E-13 2 -3.5872353E4 -1.54078749E2 5.16583383E-1 1.12407727E-1 -6.85586848E-5 3 1.76701667E-8-1.36870759E-12 -2.36275696E4 3.74879949E1 4 c6h13coch2 -thermh 15o 1c 8 G 300.0 5000.0 1555.0 1 3.87539007E1 2.49169377E-2 -9.01596404E-6 1.45340658E-9-8.65628452E-14 2 -3.49119513E4 -1.73607327E2 8.36464184E-1 1.00647436E-1 -5.85463682E-5 3 1.15405768E-8 2.54850561E-13 -2.07962185E4 3.40368885E1 4 c5h11coch2 h 13o 1c 7 G 300.0 5000.0 1479.0 1 3.5921473E1 1.98490061E-2 -7.20844329E-6 1.16483926E-9-6.94927184E-14 2 -3.07299323E4 -1.59511471E2 -2.06119129E-1 9.63734387E-2 -6.29449946E-5 3 1.63184956E-8 -9.382936E-13 -1.77842967E4 3.66662355E1 4 c7coc2h4p -thermh 19o 1c 10 G 300.0 5000.0 1385.0 1 3.17683863E1 4.33663974E-2 -1.48437685E-5 2.30586334E-9-1.33840138E-13 2 -3.48749038E4 -1.31610868E2 1.13462855E0 1.11573187E-1 -7.32709789E-5 3 2.54649296E-8-3.74404766E-12 -2.37473958E4 3.43607161E1 4 c5coc2h4p h 15o 1c 8 G 300.0 5000.0 1383.0 1 2.54583317E1 3.43402731E-2 -1.17414395E-5 1.82273018E-9 -1.0575232E-13 2 -2.66900665E4 -1.00582601E2 1.59052176E0 8.71428219E-2 -5.67022155E-5 3 1.9573652E-8 -2.871518E-12 -1.79703663E4 2.88793991E1 4 c4coc2h4p h 13o 1c 7 G 300.0 5000.0 1381.0 1 2.251192E1 2.94746899E-2 -1.00348912E-5 1.55377231E-9-8.99981839E-14 2 -2.26732787E4 -8.62251594E1 1.80119964E0 7.49149749E-2 -4.81985328E-5 3 1.63384955E-8-2.34378313E-12 -1.50775486E4 2.62335364E1 4 c8h15 -thermh 15c 8 G 300.0 5000.0 1385.0 1 2.33542716E1 3.34308759E-2 -1.13090513E-5 1.74349916E-9-1.00683122E-13 2 -7.12870223E1 -9.2146055E1 -1.06767837E0 8.52582925E-2 -5.12151748E-5 3 1.47537449E-8-1.56139848E-12 8.90562157E3 4.08246085E1 4 END