|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 31.098 | 39.999 | -8.901 |
| CCl4 | Carbon tetrachloride | 7.862 | 10.002 | -2.141 |
| CH3Br | methyl bromide | 3.882 | 5.610 | -1.728 |
| CFCl3 | Trichloromonofluoromethane | 6.261 | 7.931 | -1.670 |
| CF2Cl2 | difluorodichloromethane | 4.701 | 6.370 | -1.669 |
| CF3Cl | Methane, chlorotrifluoro- | 3.252 | 4.740 | -1.489 |
| CH3SCH3 | Dimethyl sulfide | 6.187 | 7.550 | -1.363 |
| C5H5N | Pyridine | 8.170 | 9.493 | -1.323 |
| C6H5F | Fluorobenzene | 8.878 | 10.200 | -1.322 |
| CH3Cl | Methyl chloride | 3.166 | 4.416 | -1.250 |
| H2S | Hydrogen sulfide | 2.416 | 3.631 | -1.215 |
| CH2F2 | Methane, difluoro- | 2.029 | 3.200 | -1.171 |
| HCl | Hydrogen chloride | 1.359 | 2.515 | -1.156 |
| C2H2 | Acetylene | 2.489 | 3.487 | -0.998 |
| NO2 | Nitrogen dioxide | 1.943 | 2.910 | -0.967 |
| CF4 | Carbon tetrafluoride | 1.972 | 2.824 | -0.853 |
| N2O | Nitrous oxide | 2.152 | 2.998 | -0.846 |
| C2H4 | Ethylene | 3.346 | 4.188 | -0.842 |
| C3H6 | Cyclopropane | 4.905 | 5.640 | -0.735 |
| CH3OCH3 | Dimethyl ether | 4.474 | 5.160 | -0.686 |
| CH3CH2OH | Ethanol | 4.430 | 5.112 | -0.682 |
| HCOOH | Formic acid | 2.660 | 3.319 | -0.659 |
| NH3 | Ammonia | 1.445 | 2.103 | -0.658 |
| CH2CCH2 | allene | 5.037 | 5.690 | -0.653 |
| H2CO | Formaldehyde | 2.134 | 2.770 | -0.635 |
| O2 | Oxygen diatomic | 0.951 | 1.562 | -0.611 |
| H2O | Water | 0.893 | 1.501 | -0.608 |
| CO2 | Carbon dioxide | 1.903 | 2.507 | -0.604 |
| NO | Nitric oxide | 1.114 | 1.698 | -0.584 |
| CH3NH2 | methyl amine | 3.196 | 3.754 | -0.558 |
| CH3F | Methyl fluoride | 2.054 | 2.540 | -0.486 |
| CH3OH | Methyl alcohol | 2.599 | 3.081 | -0.482 |
| CH3COCH3 | Acetone | 5.681 | 6.096 | -0.416 |
| N2 | Nitrogen diatomic | 1.299 | 1.710 | -0.411 |
| CO | Carbon monoxide | 1.543 | 1.953 | -0.410 |
| C6H14 | Hexane | 11.091 | 11.447 | -0.356 |
| C2H6 | Ethane | 3.876 | 4.226 | -0.350 |
| CH4 | Methane | 2.101 | 2.448 | -0.347 |
| CH3NHCH3 | Dimethylamine | 5.108 | 5.447 | -0.339 |
| SO2 | Sulfur dioxide | 2.902 | 3.219 | -0.317 |
| HD | Deuterium hydride | 0.480 | 0.791 | -0.311 |
| H2 | Hydrogen diatomic | 0.480 | 0.787 | -0.308 |
| C5H12 | Pentane | 9.274 | 9.579 | -0.305 |
| D2 | Deuterium diatomic | 0.480 | 0.783 | -0.303 |
| CH3CH2CH2CH3 | Butane | 7.413 | 7.688 | -0.275 |
| CH3CHO | Acetaldehyde | 4.006 | 4.278 | -0.272 |
| C3H8 | Propane | 5.686 | 5.921 | -0.236 |
| CH3CH2CH2CH3 | Butane | 7.477 | 7.688 | -0.211 |
| N(CH3)3 | Trimethylamine | 7.039 | 7.076 | -0.037 |
| Be | Beryllium atom | 6.267 | 5.600 | 0.667 |