|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 31.231 | 39.999 | -8.769 |
| CCl4 | Carbon tetrachloride | 8.856 | 10.002 | -1.147 |
| CH3Br | methyl bromide | 4.556 | 5.610 | -1.054 |
| CF2Cl2 | difluorodichloromethane | 5.490 | 6.370 | -0.881 |
| CH2F2 | Methane, difluoro- | 2.335 | 3.200 | -0.865 |
| CF3Cl | Methane, chlorotrifluoro- | 3.879 | 4.740 | -0.862 |
| CH3SCH3 | Dimethyl sulfide | 6.750 | 7.550 | -0.800 |
| H2S | Hydrogen sulfide | 2.842 | 3.631 | -0.789 |
| CFCl3 | Trichloromonofluoromethane | 7.160 | 7.931 | -0.771 |
| C5H5N | Pyridine | 8.736 | 9.493 | -0.757 |
| HCl | Hydrogen chloride | 1.795 | 2.515 | -0.720 |
| C6H5F | Fluorobenzene | 9.482 | 10.200 | -0.718 |
| CH3Cl | Methyl chloride | 3.700 | 4.416 | -0.716 |
| NO2 | Nitrogen dioxide | 2.206 | 2.910 | -0.704 |
| N2O | Nitrous oxide | 2.411 | 2.998 | -0.587 |
| C2H2 | Acetylene | 2.907 | 3.487 | -0.580 |
| C2H4 | Ethylene | 3.651 | 4.188 | -0.537 |
| O2 | Oxygen diatomic | 1.113 | 1.562 | -0.449 |
| CF4 | Carbon tetrafluoride | 2.380 | 2.824 | -0.444 |
| C3H6 | Cyclopropane | 5.216 | 5.640 | -0.424 |
| NH3 | Ammonia | 1.683 | 2.103 | -0.420 |
| H2O | Water | 1.084 | 1.501 | -0.417 |
| NO | Nitric oxide | 1.294 | 1.698 | -0.404 |
| H2CO | Formaldehyde | 2.386 | 2.770 | -0.383 |
| HCOOH | Formic acid | 2.974 | 3.319 | -0.345 |
| CH3CH2OH | Ethanol | 4.785 | 5.112 | -0.327 |
| CO2 | Carbon dioxide | 2.183 | 2.507 | -0.324 |
| CH3OCH3 | Dimethyl ether | 4.877 | 5.160 | -0.283 |
| N2 | Nitrogen diatomic | 1.458 | 1.710 | -0.252 |
| CH2CCH2 | allene | 5.448 | 5.690 | -0.242 |
| CH3NH2 | methyl amine | 3.514 | 3.754 | -0.239 |
| CO | Carbon monoxide | 1.728 | 1.953 | -0.225 |
| CH3F | Methyl fluoride | 2.318 | 2.540 | -0.222 |
| CH3OH | Methyl alcohol | 2.895 | 3.081 | -0.186 |
| HD | Deuterium hydride | 0.638 | 0.791 | -0.152 |
| H2 | Hydrogen diatomic | 0.638 | 0.787 | -0.149 |
| D2 | Deuterium diatomic | 0.638 | 0.783 | -0.145 |
| CH4 | Methane | 2.344 | 2.448 | -0.104 |
| C2H6 | Ethane | 4.179 | 4.226 | -0.048 |
| CH3COCH3 | Acetone | 6.071 | 6.096 | -0.025 |
| SO2 | Sulfur dioxide | 3.220 | 3.219 | 0.001 |
| CH3CHO | Acetaldehyde | 4.320 | 4.278 | 0.042 |
| CH3NHCH3 | Dimethylamine | 5.524 | 5.447 | 0.077 |
| C3H8 | Propane | 6.046 | 5.921 | 0.125 |
| CH3CH2CH2CH3 | Butane | 7.832 | 7.688 | 0.144 |
| C5H12 | Pentane | 9.779 | 9.579 | 0.200 |
| CH3CH2CH2CH3 | Butane | 7.908 | 7.688 | 0.220 |
| C6H14 | Hexane | 11.673 | 11.447 | 0.226 |
| N(CH3)3 | Trimethylamine | 7.537 | 7.076 | 0.461 |
| Be | Beryllium atom | 6.440 | 5.600 | 0.840 |