|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 33.726 | 39.999 | -6.274 |
| CCl4 | Carbon tetrachloride | 7.288 | 10.002 | -2.714 |
| C6H5F | Fluorobenzene | 7.543 | 10.200 | -2.657 |
| C5H5N | Pyridine | 6.932 | 9.493 | -2.561 |
| CH3SCH3 | Dimethyl sulfide | 5.331 | 7.550 | -2.219 |
| CFCl3 | Trichloromonofluoromethane | 5.819 | 7.931 | -2.112 |
| CH3Br | methyl bromide | 3.550 | 5.610 | -2.060 |
| CF2Cl2 | difluorodichloromethane | 4.317 | 6.370 | -2.054 |
| C6H14 | Hexane | 9.412 | 11.447 | -2.035 |
| CF3Cl | Methane, chlorotrifluoro- | 2.849 | 4.740 | -1.891 |
| C5H12 | Pentane | 7.849 | 9.579 | -1.729 |
| C2H2 | Acetylene | 1.897 | 3.487 | -1.590 |
| CH3Cl | Methyl chloride | 2.835 | 4.416 | -1.581 |
| H2S | Hydrogen sulfide | 2.052 | 3.631 | -1.578 |
| C3H6 | Cyclopropane | 4.141 | 5.640 | -1.499 |
| CH2F2 | Methane, difluoro- | 1.707 | 3.200 | -1.493 |
| CH2CCH2 | allene | 4.206 | 5.690 | -1.484 |
| C2H4 | Ethylene | 2.735 | 4.188 | -1.453 |
| CH3CH2CH2CH3 | Butane | 6.261 | 7.688 | -1.427 |
| CH3CH2CH2CH3 | Butane | 6.305 | 7.688 | -1.383 |
| CH3OCH3 | Dimethyl ether | 3.811 | 5.160 | -1.348 |
| CH3COCH3 | Acetone | 4.754 | 6.096 | -1.343 |
| CH3CH2OH | Ethanol | 3.782 | 5.112 | -1.331 |
| NO2 | Nitrogen dioxide | 1.588 | 2.910 | -1.323 |
| CF4 | Carbon tetrafluoride | 1.502 | 2.824 | -1.322 |
| HCl | Hydrogen chloride | 1.200 | 2.515 | -1.315 |
| N2O | Nitrous oxide | 1.753 | 2.998 | -1.245 |
| N(CH3)3 | Trimethylamine | 5.854 | 7.076 | -1.222 |
| NH3 | Ammonia | 0.923 | 2.103 | -1.179 |
| CH3NHCH3 | Dimethylamine | 4.286 | 5.447 | -1.162 |
| HCOOH | Formic acid | 2.171 | 3.319 | -1.149 |
| C3H8 | Propane | 4.775 | 5.921 | -1.147 |
| CH3NH2 | methyl amine | 2.631 | 3.754 | -1.123 |
| H2CO | Formaldehyde | 1.770 | 2.770 | -0.999 |
| C2H6 | Ethane | 3.259 | 4.226 | -0.967 |
| CH3CHO | Acetaldehyde | 3.321 | 4.278 | -0.957 |
| CO2 | Carbon dioxide | 1.555 | 2.507 | -0.953 |
| H2O | Water | 0.640 | 1.501 | -0.861 |
| CH3OH | Methyl alcohol | 2.224 | 3.081 | -0.856 |
| NO | Nitric oxide | 0.877 | 1.698 | -0.821 |
| O2 | Oxygen diatomic | 0.768 | 1.562 | -0.794 |
| CH3F | Methyl fluoride | 1.759 | 2.540 | -0.781 |
| SO2 | Sulfur dioxide | 2.447 | 3.219 | -0.771 |
| CH4 | Methane | 1.741 | 2.448 | -0.707 |
| CO | Carbon monoxide | 1.260 | 1.953 | -0.693 |
| N2 | Nitrogen diatomic | 1.029 | 1.710 | -0.681 |
| Be | Beryllium atom | 5.897 | 5.600 | 0.297 |