|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| CCl4 | Carbon tetrachloride | 7.016 | 10.002 | -2.987 |
| C6H5F | Fluorobenzene | 8.017 | 10.200 | -2.183 |
| C5H5N | Pyridine | 7.373 | 9.493 | -2.120 |
| CH3SCH3 | Dimethyl sulfide | 5.491 | 7.550 | -2.059 |
| C6H14 | Hexane | 9.498 | 11.447 | -1.950 |
| CF2Cl2 | difluorodichloromethane | 4.450 | 6.370 | -1.921 |
| C5H12 | Pentane | 7.941 | 9.579 | -1.638 |
| NO2 | Nitrogen dioxide | 1.280 | 2.910 | -1.630 |
| CF3Cl | Methane, chlorotrifluoro- | 3.176 | 4.740 | -1.564 |
| H2S | Hydrogen sulfide | 2.136 | 3.631 | -1.494 |
| CH3Cl | Methyl chloride | 2.928 | 4.416 | -1.487 |
| C2H2 | Acetylene | 2.093 | 3.487 | -1.393 |
| CH2CCH2 | allene | 4.328 | 5.690 | -1.362 |
| C2H4 | Ethylene | 2.855 | 4.188 | -1.332 |
| C3H6 | Cyclopropane | 4.316 | 5.640 | -1.324 |
| CH3OCH3 | Dimethyl ether | 3.857 | 5.160 | -1.303 |
| CH3CH2CH2CH3 | Butane | 6.398 | 7.688 | -1.290 |
| CH3CH2OH | Ethanol | 3.833 | 5.112 | -1.280 |
| CH2F2 | Methane, difluoro- | 1.923 | 3.200 | -1.277 |
| HCl | Hydrogen chloride | 1.243 | 2.515 | -1.272 |
| N(CH3)3 | Trimethylamine | 5.902 | 7.076 | -1.174 |
| CH3COCH3 | Acetone | 4.924 | 6.096 | -1.172 |
| CH3NHCH3 | Dimethylamine | 4.351 | 5.447 | -1.096 |
| Ar | Argon atom | 0.591 | 1.664 | -1.073 |
| C3H8 | Propane | 4.870 | 5.921 | -1.051 |
| CH3NH2 | methyl amine | 2.779 | 3.754 | -0.974 |
| HCOOH | Formic acid | 2.415 | 3.319 | -0.905 |
| NH3 | Ammonia | 1.223 | 2.103 | -0.880 |
| C2H6 | Ethane | 3.357 | 4.226 | -0.869 |
| H2CO | Formaldehyde | 1.909 | 2.770 | -0.860 |
| NO | Nitric oxide | 0.865 | 1.698 | -0.834 |
| CF4 | Carbon tetrafluoride | 1.999 | 2.824 | -0.826 |
| CH3CHO | Acetaldehyde | 3.453 | 4.278 | -0.825 |
| C | Carbon atom | 0.954 | 1.760 | -0.806 |
| CH3OH | Methyl alcohol | 2.295 | 3.081 | -0.785 |
| O2 | Oxygen diatomic | 0.793 | 1.562 | -0.769 |
| N2O | Nitrous oxide | 2.232 | 2.998 | -0.765 |
| H2O | Water | 0.765 | 1.501 | -0.736 |
| CH3F | Methyl fluoride | 1.883 | 2.540 | -0.657 |
| H | Hydrogen atom | 0.038 | 0.667 | -0.629 |
| CH4 | Methane | 1.830 | 2.448 | -0.618 |
| Be | Beryllium atom | 5.029 | 5.600 | -0.571 |
| CO2 | Carbon dioxide | 1.965 | 2.507 | -0.542 |
| CO | Carbon monoxide | 1.439 | 1.953 | -0.514 |
| N | Nitrogen atom | 0.605 | 1.100 | -0.495 |
| N2 | Nitrogen diatomic | 1.253 | 1.710 | -0.457 |
| O | Oxygen atom | 0.353 | 0.802 | -0.449 |
| H2 | Hydrogen diatomic | 0.361 | 0.787 | -0.427 |
| F | Fluorine atom | 0.248 | 0.557 | -0.309 |
| SO2 | Sulfur dioxide | 2.975 | 3.219 | -0.244 |
| Ne | Neon atom | 0.183 | 0.381 | -0.198 |
| He | Helium atom | 0.057 | 0.208 | -0.152 |
| Li | Lithium atom | 25.594 | 24.330 | 1.264 |
| Na | Sodium atom | 33.229 | 24.110 | 9.120 |