|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 9.117 | 39.999 | -30.883 |
| C6H14 | Hexane | 4.856 | 11.447 | -6.591 |
| CCl4 | Carbon tetrachloride | 3.572 | 10.002 | -6.430 |
| C5H12 | Pentane | 4.033 | 9.579 | -5.546 |
| C6H5F | Fluorobenzene | 4.885 | 10.200 | -5.315 |
| C5H5N | Pyridine | 4.397 | 9.493 | -5.097 |
| CFCl3 | Trichloromonofluoromethane | 2.932 | 7.931 | -4.999 |
| CH3SCH3 | Dimethyl sulfide | 2.634 | 7.550 | -4.916 |
| CH3CH2CH2CH3 | Butane | 3.198 | 7.688 | -4.490 |
| CH3CH2CH2CH3 | Butane | 3.217 | 7.688 | -4.471 |
| CF2Cl2 | difluorodichloromethane | 2.262 | 6.370 | -4.109 |
| N(CH3)3 | Trimethylamine | 3.021 | 7.076 | -4.055 |
| CH3COCH3 | Acetone | 2.566 | 6.096 | -3.530 |
| C3H8 | Propane | 2.408 | 5.921 | -3.513 |
| C3H6 | Cyclopropane | 2.231 | 5.640 | -3.409 |
| CH3NHCH3 | Dimethylamine | 2.218 | 5.447 | -3.230 |
| CH3OCH3 | Dimethyl ether | 1.997 | 5.160 | -3.163 |
| CF3Cl | Methane, chlorotrifluoro- | 1.602 | 4.740 | -3.139 |
| CH3CH2OH | Ethanol | 1.992 | 5.112 | -3.121 |
| CH3Cl | Methyl chloride | 1.337 | 4.416 | -3.079 |
| CH2CCH2 | allene | 2.693 | 5.690 | -2.997 |
| CH3Br | methyl bromide | 2.782 | 5.610 | -2.828 |
| H2S | Hydrogen sulfide | 0.846 | 3.631 | -2.784 |
| C2H6 | Ethane | 1.616 | 4.226 | -2.610 |
| C2H4 | Ethylene | 1.591 | 4.188 | -2.596 |
| CH3CHO | Acetaldehyde | 1.758 | 4.278 | -2.520 |
| C2H2 | Acetylene | 1.065 | 3.487 | -2.422 |
| CH3NH2 | methyl amine | 1.413 | 3.754 | -2.341 |
| CH2F2 | Methane, difluoro- | 0.978 | 3.200 | -2.222 |
| HCl | Hydrogen chloride | 0.419 | 2.515 | -2.096 |
| HCOOH | Formic acid | 1.275 | 3.319 | -2.044 |
| CH3OH | Methyl alcohol | 1.183 | 3.081 | -1.898 |
| H2CO | Formaldehyde | 0.941 | 2.770 | -1.829 |
| CF4 | Carbon tetrafluoride | 1.003 | 2.824 | -1.821 |
| NO2 | Nitrogen dioxide | 1.092 | 2.910 | -1.818 |
| N2O | Nitrous oxide | 1.207 | 2.998 | -1.791 |
| CH3F | Methyl fluoride | 0.916 | 2.540 | -1.624 |
| CH4 | Methane | 0.825 | 2.448 | -1.623 |
| CO2 | Carbon dioxide | 0.976 | 2.507 | -1.532 |
| NH3 | Ammonia | 0.620 | 2.103 | -1.483 |
| SO2 | Sulfur dioxide | 1.854 | 3.219 | -1.364 |
| CO | Carbon monoxide | 0.667 | 1.953 | -1.286 |
| NO | Nitric oxide | 0.513 | 1.698 | -1.185 |
| H2O | Water | 0.401 | 1.501 | -1.101 |
| N2 | Nitrogen diatomic | 0.613 | 1.710 | -1.097 |
| O2 | Oxygen diatomic | 0.531 | 1.562 | -1.031 |