|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 32.918 | 39.999 | -7.081 |
| CH3Br | methyl bromide | 4.623 | 5.610 | -0.987 |
| H2S | Hydrogen sulfide | 2.685 | 3.631 | -0.946 |
| HCl | Hydrogen chloride | 1.614 | 2.515 | -0.901 |
| CH3Cl | Methyl chloride | 3.517 | 4.416 | -0.899 |
| CH3SCH3 | Dimethyl sulfide | 6.704 | 7.550 | -0.846 |
| CH2F2 | Methane, difluoro- | 2.458 | 3.200 | -0.742 |
| CCl4 | Carbon tetrachloride | 9.386 | 10.002 | -0.616 |
| C2H2 | Acetylene | 2.927 | 3.487 | -0.560 |
| CF2Cl2 | difluorodichloromethane | 5.916 | 6.370 | -0.455 |
| CF3Cl | Methane, chlorotrifluoro- | 4.286 | 4.740 | -0.455 |
| C2H4 | Ethylene | 3.737 | 4.188 | -0.451 |
| C3H6 | Cyclopropane | 5.191 | 5.640 | -0.449 |
| CH3CH2OH | Ethanol | 4.671 | 5.112 | -0.441 |
| CH3OCH3 | Dimethyl ether | 4.725 | 5.160 | -0.435 |
| HD | Deuterium hydride | 0.379 | 0.791 | -0.412 |
| H2 | Hydrogen diatomic | 0.379 | 0.787 | -0.408 |
| NH3 | Ammonia | 1.695 | 2.103 | -0.408 |
| H2O | Water | 1.095 | 1.501 | -0.406 |
| D2 | Deuterium diatomic | 0.379 | 0.783 | -0.404 |
| H2CO | Formaldehyde | 2.371 | 2.770 | -0.399 |
| CH4 | Methane | 2.088 | 2.448 | -0.360 |
| N2O | Nitrous oxide | 2.651 | 2.998 | -0.346 |
| NO2 | Nitrogen dioxide | 2.581 | 2.910 | -0.329 |
| C2H6 | Ethane | 3.898 | 4.226 | -0.328 |
| CFCl3 | Trichloromonofluoromethane | 7.637 | 7.931 | -0.294 |
| CH3NH2 | methyl amine | 3.460 | 3.754 | -0.293 |
| CH3F | Methyl fluoride | 2.249 | 2.540 | -0.291 |
| CH3OH | Methyl alcohol | 2.818 | 3.081 | -0.262 |
| O2 | Oxygen diatomic | 1.331 | 1.562 | -0.231 |
| NO | Nitric oxide | 1.489 | 1.698 | -0.209 |
| CO2 | Carbon dioxide | 2.311 | 2.507 | -0.197 |
| C5H5N | Pyridine | 9.305 | 9.493 | -0.188 |
| C3H8 | Propane | 5.776 | 5.921 | -0.146 |
| HCOOH | Formic acid | 3.203 | 3.319 | -0.116 |
| CO | Carbon monoxide | 1.837 | 1.953 | -0.116 |
| CH3CH2CH2CH3 | Butane | 7.578 | 7.688 | -0.110 |
| N2 | Nitrogen diatomic | 1.603 | 1.710 | -0.107 |
| C5H12 | Pentane | 9.478 | 9.579 | -0.101 |
| C6H14 | Hexane | 11.348 | 11.447 | -0.099 |
| CH2CCH2 | allene | 5.611 | 5.690 | -0.079 |
| CH3CH2CH2CH3 | Butane | 7.623 | 7.688 | -0.065 |
| CH3NHCH3 | Dimethylamine | 5.417 | 5.447 | -0.030 |
| CF4 | Carbon tetrafluoride | 2.798 | 2.824 | -0.026 |
| CH3COCH3 | Acetone | 6.197 | 6.096 | 0.100 |
| CH3CHO | Acetaldehyde | 4.388 | 4.278 | 0.110 |
| N(CH3)3 | Trimethylamine | 7.502 | 7.076 | 0.426 |
| SO2 | Sulfur dioxide | 3.665 | 3.219 | 0.447 |