|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 30.754 | 39.999 | -9.246 |
| CCl4 | Carbon tetrachloride | 7.303 | 10.002 | -2.700 |
| CH3Br | methyl bromide | 3.124 | 5.610 | -2.486 |
| C6H5F | Fluorobenzene | 8.044 | 10.200 | -2.156 |
| CFCl3 | Trichloromonofluoromethane | 5.845 | 7.931 | -2.086 |
| C5H5N | Pyridine | 7.435 | 9.493 | -2.058 |
| CF2Cl2 | difluorodichloromethane | 4.393 | 6.370 | -1.977 |
| CH3SCH3 | Dimethyl sulfide | 5.642 | 7.550 | -1.908 |
| CF3Cl | Methane, chlorotrifluoro- | 3.025 | 4.740 | -1.716 |
| CH3Cl | Methyl chloride | 2.811 | 4.416 | -1.605 |
| C6H14 | Hexane | 9.908 | 11.447 | -1.539 |
| H2S | Hydrogen sulfide | 2.129 | 3.631 | -1.501 |
| HCl | Hydrogen chloride | 1.030 | 2.515 | -1.485 |
| C2H2 | Acetylene | 2.079 | 3.487 | -1.408 |
| CH2F2 | Methane, difluoro- | 1.842 | 3.200 | -1.358 |
| C5H12 | Pentane | 8.273 | 9.579 | -1.305 |
| C2H4 | Ethylene | 2.926 | 4.188 | -1.262 |
| C3H6 | Cyclopropane | 4.385 | 5.640 | -1.255 |
| CH2CCH2 | allene | 4.492 | 5.690 | -1.198 |
| NH3 | Ammonia | 0.952 | 2.103 | -1.151 |
| CH3CH2OH | Ethanol | 3.980 | 5.112 | -1.132 |
| CH3OCH3 | Dimethyl ether | 4.043 | 5.160 | -1.117 |
| CH3CH2CH2CH3 | Butane | 6.609 | 7.688 | -1.079 |
| NO2 | Nitrogen dioxide | 1.859 | 2.910 | -1.052 |
| CH3CH2CH2CH3 | Butane | 6.655 | 7.688 | -1.033 |
| CF4 | Carbon tetrafluoride | 1.816 | 2.824 | -1.008 |
| CH3NH2 | methyl amine | 2.756 | 3.754 | -0.997 |
| CH3COCH3 | Acetone | 5.100 | 6.096 | -0.996 |
| N2O | Nitrous oxide | 2.070 | 2.998 | -0.928 |
| HCOOH | Formic acid | 2.437 | 3.319 | -0.882 |
| CH3NHCH3 | Dimethylamine | 4.567 | 5.447 | -0.880 |
| C3H8 | Propane | 5.046 | 5.921 | -0.875 |
| H2CO | Formaldehyde | 1.938 | 2.770 | -0.832 |
| H2O | Water | 0.685 | 1.501 | -0.816 |
| N(CH3)3 | Trimethylamine | 6.289 | 7.076 | -0.787 |
| C2H6 | Ethane | 3.440 | 4.226 | -0.786 |
| CH3OH | Methyl alcohol | 2.339 | 3.081 | -0.741 |
| CH3CHO | Acetaldehyde | 3.585 | 4.278 | -0.693 |
| CH3F | Methyl fluoride | 1.847 | 2.540 | -0.693 |
| CO2 | Carbon dioxide | 1.814 | 2.507 | -0.693 |
| O2 | Oxygen diatomic | 0.895 | 1.562 | -0.667 |
| NO | Nitric oxide | 1.041 | 1.698 | -0.657 |
| CH4 | Methane | 1.843 | 2.448 | -0.605 |
| CO | Carbon monoxide | 1.403 | 1.953 | -0.550 |
| N2 | Nitrogen diatomic | 1.218 | 1.710 | -0.492 |
| Be | Beryllium atom | 5.358 | 5.600 | -0.242 |
| SO2 | Sulfur dioxide | 3.115 | 3.219 | -0.104 |