|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 32.300 | 39.999 | -7.700 |
| C5H5N | Pyridine | 8.058 | 9.493 | -1.436 |
| CH3SCH3 | Dimethyl sulfide | 6.157 | 7.550 | -1.393 |
| CCl4 | Carbon tetrachloride | 8.827 | 10.002 | -1.176 |
| C6H14 | Hexane | 10.390 | 11.447 | -1.058 |
| C2H2 | Acetylene | 2.459 | 3.487 | -1.028 |
| H2S | Hydrogen sulfide | 2.627 | 3.631 | -1.003 |
| C3H6 | Cyclopropane | 4.668 | 5.640 | -0.972 |
| C2H4 | Ethylene | 3.218 | 4.188 | -0.969 |
| CH3Br | methyl bromide | 4.658 | 5.610 | -0.952 |
| CH3Cl | Methyl chloride | 3.470 | 4.416 | -0.946 |
| CH2F2 | Methane, difluoro- | 2.280 | 3.200 | -0.920 |
| C5H12 | Pentane | 8.666 | 9.579 | -0.913 |
| CH3CH2OH | Ethanol | 4.266 | 5.112 | -0.846 |
| CH3OCH3 | Dimethyl ether | 4.317 | 5.160 | -0.843 |
| CF2Cl2 | difluorodichloromethane | 5.582 | 6.370 | -0.788 |
| CH2CCH2 | allene | 4.909 | 5.690 | -0.781 |
| HCl | Hydrogen chloride | 1.736 | 2.515 | -0.779 |
| CH3CH2CH2CH3 | Butane | 6.910 | 7.688 | -0.778 |
| CF3Cl | Methane, chlorotrifluoro- | 3.978 | 4.740 | -0.762 |
| CH3CH2CH2CH3 | Butane | 6.965 | 7.688 | -0.723 |
| CFCl3 | Trichloromonofluoromethane | 7.220 | 7.931 | -0.711 |
| NO2 | Nitrogen dioxide | 2.213 | 2.910 | -0.698 |
| CH3NH2 | methyl amine | 3.097 | 3.754 | -0.657 |
| NH3 | Ammonia | 1.449 | 2.103 | -0.654 |
| CH3COCH3 | Acetone | 5.452 | 6.096 | -0.645 |
| C3H8 | Propane | 5.284 | 5.921 | -0.638 |
| CH3NHCH3 | Dimethylamine | 4.825 | 5.447 | -0.622 |
| N2O | Nitrous oxide | 2.385 | 2.998 | -0.613 |
| H2CO | Formaldehyde | 2.172 | 2.770 | -0.597 |
| C2H6 | Ethane | 3.630 | 4.226 | -0.596 |
| HCOOH | Formic acid | 2.746 | 3.319 | -0.574 |
| H2O | Water | 0.965 | 1.501 | -0.536 |
| N(CH3)3 | Trimethylamine | 6.545 | 7.076 | -0.531 |
| CH3OH | Methyl alcohol | 2.598 | 3.081 | -0.483 |
| CH4 | Methane | 1.997 | 2.448 | -0.451 |
| CH3CHO | Acetaldehyde | 3.858 | 4.278 | -0.420 |
| HD | Deuterium hydride | 0.379 | 0.791 | -0.412 |
| H2 | Hydrogen diatomic | 0.379 | 0.787 | -0.408 |
| D2 | Deuterium diatomic | 0.379 | 0.783 | -0.404 |
| NO | Nitric oxide | 1.300 | 1.698 | -0.398 |
| CH3F | Methyl fluoride | 2.150 | 2.540 | -0.390 |
| CO2 | Carbon dioxide | 2.125 | 2.507 | -0.382 |
| CO | Carbon monoxide | 1.576 | 1.953 | -0.377 |
| O2 | Oxygen diatomic | 1.195 | 1.562 | -0.367 |
| CF4 | Carbon tetrafluoride | 2.478 | 2.824 | -0.347 |
| N2 | Nitrogen diatomic | 1.421 | 1.710 | -0.289 |
| SO2 | Sulfur dioxide | 3.174 | 3.219 | -0.044 |