|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 9.322 | 39.999 | -30.677 |
| C6H14 | Hexane | 4.829 | 11.447 | -6.619 |
| CCl4 | Carbon tetrachloride | 3.914 | 10.002 | -6.089 |
| C5H12 | Pentane | 4.002 | 9.579 | -5.577 |
| C6H5F | Fluorobenzene | 5.242 | 10.200 | -4.958 |
| CH3SCH3 | Dimethyl sulfide | 2.604 | 7.550 | -4.946 |
| C5H5N | Pyridine | 4.607 | 9.493 | -4.886 |
| CFCl3 | Trichloromonofluoromethane | 3.263 | 7.931 | -4.668 |
| CH3CH2CH2CH3 | Butane | 3.166 | 7.688 | -4.522 |
| CH3CH2CH2CH3 | Butane | 3.184 | 7.688 | -4.504 |
| CH3Br | methyl bromide | 1.451 | 5.610 | -4.159 |
| N(CH3)3 | Trimethylamine | 3.081 | 7.076 | -3.995 |
| CF2Cl2 | difluorodichloromethane | 2.584 | 6.370 | -3.787 |
| C3H8 | Propane | 2.376 | 5.921 | -3.546 |
| CH3COCH3 | Acetone | 2.648 | 6.096 | -3.449 |
| C3H6 | Cyclopropane | 2.198 | 5.640 | -3.442 |
| CH3NHCH3 | Dimethylamine | 2.265 | 5.447 | -3.182 |
| CH2CCH2 | allene | 2.577 | 5.690 | -3.113 |
| CH3Cl | Methyl chloride | 1.305 | 4.416 | -3.110 |
| CH3OCH3 | Dimethyl ether | 2.058 | 5.160 | -3.102 |
| CH3CH2OH | Ethanol | 2.032 | 5.112 | -3.081 |
| CF3Cl | Methane, chlorotrifluoro- | 1.902 | 4.740 | -2.838 |
| Be | Beryllium atom | 2.798 | 5.600 | -2.802 |
| H2S | Hydrogen sulfide | 0.855 | 3.631 | -2.776 |
| C2H4 | Ethylene | 1.512 | 4.188 | -2.676 |
| C2H6 | Ethane | 1.588 | 4.226 | -2.638 |
| CH3CHO | Acetaldehyde | 1.818 | 4.278 | -2.460 |
| C2H2 | Acetylene | 1.090 | 3.487 | -2.396 |
| CH3NH2 | methyl amine | 1.447 | 3.754 | -2.306 |
| CH2F2 | Methane, difluoro- | 1.087 | 3.200 | -2.113 |
| HCl | Hydrogen chloride | 0.422 | 2.515 | -2.092 |
| HCOOH | Formic acid | 1.407 | 3.319 | -1.912 |
| CH3OH | Methyl alcohol | 1.225 | 3.081 | -1.856 |
| H2CO | Formaldehyde | 0.955 | 2.770 | -1.814 |
| NO2 | Nitrogen dioxide | 1.122 | 2.910 | -1.789 |
| N2O | Nitrous oxide | 1.251 | 2.998 | -1.746 |
| SO2 | Sulfur dioxide | 1.560 | 3.219 | -1.659 |
| CH4 | Methane | 0.803 | 2.448 | -1.645 |
| CF4 | Carbon tetrafluoride | 1.228 | 2.824 | -1.597 |
| CH3F | Methyl fluoride | 0.954 | 2.540 | -1.586 |
| CO2 | Carbon dioxide | 1.043 | 2.507 | -1.464 |
| NH3 | Ammonia | 0.647 | 2.103 | -1.456 |
| CO | Carbon monoxide | 0.699 | 1.953 | -1.254 |
| NO | Nitric oxide | 0.551 | 1.698 | -1.147 |
| O2 | Oxygen diatomic | 0.460 | 1.562 | -1.102 |
| H2O | Water | 0.418 | 1.501 | -1.084 |
| N2 | Nitrogen diatomic | 0.639 | 1.710 | -1.072 |