|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 9.470 | 39.999 | -30.529 |
| C6H14 | Hexane | 4.943 | 11.447 | -6.504 |
| CCl4 | Carbon tetrachloride | 3.859 | 10.002 | -6.144 |
| C5H12 | Pentane | 4.097 | 9.579 | -5.482 |
| CH3SCH3 | Dimethyl sulfide | 2.665 | 7.550 | -4.885 |
| C5H5N | Pyridine | 4.640 | 9.493 | -4.853 |
| CFCl3 | Trichloromonofluoromethane | 3.230 | 7.931 | -4.700 |
| CH3CH2CH2CH3 | Butane | 3.238 | 7.688 | -4.450 |
| CH3CH2CH2CH3 | Butane | 3.259 | 7.688 | -4.429 |
| N(CH3)3 | Trimethylamine | 3.138 | 7.076 | -3.937 |
| CF2Cl2 | difluorodichloromethane | 2.552 | 6.370 | -3.819 |
| C3H8 | Propane | 2.432 | 5.921 | -3.490 |
| CH3COCH3 | Acetone | 2.661 | 6.096 | -3.435 |
| C3H6 | Cyclopropane | 2.248 | 5.640 | -3.392 |
| CH3NHCH3 | Dimethylamine | 2.303 | 5.447 | -3.144 |
| CH3OCH3 | Dimethyl ether | 2.082 | 5.160 | -3.077 |
| CH3Cl | Methyl chloride | 1.341 | 4.416 | -3.075 |
| CH2CCH2 | allene | 2.622 | 5.690 | -3.068 |
| CH3CH2OH | Ethanol | 2.058 | 5.112 | -3.054 |
| CF3Cl | Methane, chlorotrifluoro- | 1.862 | 4.740 | -2.878 |
| H2S | Hydrogen sulfide | 0.862 | 3.631 | -2.768 |
| C2H4 | Ethylene | 1.550 | 4.188 | -2.638 |
| C2H6 | Ethane | 1.624 | 4.226 | -2.602 |
| CH3CHO | Acetaldehyde | 1.819 | 4.278 | -2.459 |
| C2H2 | Acetylene | 1.096 | 3.487 | -2.391 |
| CH3NH2 | methyl amine | 1.471 | 3.754 | -2.282 |
| CH2F2 | Methane, difluoro- | 1.068 | 3.200 | -2.132 |
| HCOOH | Formic acid | 1.399 | 3.319 | -1.920 |
| CH3OH | Methyl alcohol | 1.234 | 3.081 | -1.847 |
| H2CO | Formaldehyde | 0.957 | 2.770 | -1.813 |
| NO2 | Nitrogen dioxide | 1.164 | 2.910 | -1.747 |
| N2O | Nitrous oxide | 1.252 | 2.998 | -1.745 |
| CF4 | Carbon tetrafluoride | 1.187 | 2.824 | -1.637 |
| SO2 | Sulfur dioxide | 1.586 | 3.219 | -1.633 |
| CH4 | Methane | 0.823 | 2.448 | -1.625 |
| CH3F | Methyl fluoride | 0.955 | 2.540 | -1.585 |
| CO2 | Carbon dioxide | 1.038 | 2.507 | -1.469 |
| NH3 | Ammonia | 0.660 | 2.103 | -1.443 |
| CO | Carbon monoxide | 0.693 | 1.953 | -1.260 |
| NO | Nitric oxide | 0.551 | 1.698 | -1.147 |
| H2O | Water | 0.422 | 1.501 | -1.079 |
| N2 | Nitrogen diatomic | 0.633 | 1.710 | -1.077 |