|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| CCl4 | Carbon tetrachloride | 7.058 | 10.002 | -2.945 |
| CFCl3 | Trichloromonofluoromethane | 5.667 | 7.931 | -2.264 |
| CF2Cl2 | difluorodichloromethane | 4.293 | 6.370 | -2.077 |
| NO2 | Nitrogen dioxide | 0.996 | 2.910 | -1.915 |
| CH3SCH3 | Dimethyl sulfide | 5.714 | 7.550 | -1.836 |
| CF3Cl | Methane, chlorotrifluoro- | 2.985 | 4.740 | -1.755 |
| C6H5F | Fluorobenzene | 8.492 | 10.200 | -1.708 |
| H2S | Hydrogen sulfide | 2.174 | 3.631 | -1.457 |
| CH3Cl | Methyl chloride | 3.007 | 4.416 | -1.409 |
| CH2F2 | Methane, difluoro- | 1.857 | 3.200 | -1.343 |
| HCl | Hydrogen chloride | 1.254 | 2.515 | -1.261 |
| C2H2 | Acetylene | 2.331 | 3.487 | -1.156 |
| Ar | Argon atom | 0.566 | 1.664 | -1.098 |
| CH3OCH3 | Dimethyl ether | 4.066 | 5.160 | -1.094 |
| C2H4 | Ethylene | 3.096 | 4.188 | -1.091 |
| CH3CH2OH | Ethanol | 4.038 | 5.112 | -1.074 |
| C5H12 | Pentane | 8.526 | 9.579 | -1.052 |
| CH2CCH2 | allene | 4.648 | 5.690 | -1.042 |
| C3H6 | Cyclopropane | 4.607 | 5.640 | -1.033 |
| CF4 | Carbon tetrafluoride | 1.806 | 2.824 | -1.018 |
| CH3COCH3 | Acetone | 5.197 | 6.096 | -0.899 |
| HCOOH | Formic acid | 2.430 | 3.319 | -0.889 |
| N2O | Nitrous oxide | 2.139 | 2.998 | -0.859 |
| O2 | Oxygen diatomic | 0.708 | 1.562 | -0.854 |
| NO | Nitric oxide | 0.853 | 1.698 | -0.845 |
| CH3NHCH3 | Dimethylamine | 4.617 | 5.447 | -0.830 |
| CH3NH2 | methyl amine | 2.924 | 3.754 | -0.830 |
| CH3CH2CH2CH3 | Butane | 6.875 | 7.688 | -0.813 |
| H2CO | Formaldehyde | 1.957 | 2.770 | -0.812 |
| NH3 | Ammonia | 1.294 | 2.103 | -0.809 |
| N(CH3)3 | Trimethylamine | 6.326 | 7.076 | -0.750 |
| C | Carbon atom | 1.025 | 1.760 | -0.735 |
| H2O | Water | 0.773 | 1.501 | -0.728 |
| CH3OH | Methyl alcohol | 2.379 | 3.081 | -0.702 |
| C3H8 | Propane | 5.234 | 5.921 | -0.688 |
| CH3CHO | Acetaldehyde | 3.630 | 4.278 | -0.648 |
| CH3F | Methyl fluoride | 1.902 | 2.540 | -0.638 |
| C2H6 | Ethane | 3.596 | 4.226 | -0.631 |
| CO2 | Carbon dioxide | 1.915 | 2.507 | -0.592 |
| H | Hydrogen atom | 0.093 | 0.667 | -0.574 |
| O | Oxygen atom | 0.269 | 0.802 | -0.533 |
| N | Nitrogen atom | 0.575 | 1.100 | -0.525 |
| N2 | Nitrogen diatomic | 1.208 | 1.710 | -0.502 |
| CH4 | Methane | 1.952 | 2.448 | -0.496 |
| CO | Carbon monoxide | 1.465 | 1.953 | -0.488 |
| F | Fluorine atom | 0.135 | 0.557 | -0.422 |
| SO2 | Sulfur dioxide | 2.826 | 3.219 | -0.393 |
| H2 | Hydrogen diatomic | 0.437 | 0.787 | -0.351 |
| Ne | Neon atom | 0.071 | 0.381 | -0.310 |
| He | Helium atom | 0.045 | 0.208 | -0.163 |