|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 9.400 | 39.999 | -30.599 |
| C6H14 | Hexane | 4.902 | 11.447 | -6.545 |
| CCl4 | Carbon tetrachloride | 3.790 | 10.002 | -6.212 |
| C5H12 | Pentane | 4.065 | 9.579 | -5.514 |
| C6H5F | Fluorobenzene | 5.196 | 10.200 | -5.004 |
| CH3SCH3 | Dimethyl sulfide | 2.644 | 7.550 | -4.906 |
| C5H5N | Pyridine | 4.602 | 9.493 | -4.891 |
| CFCl3 | Trichloromonofluoromethane | 3.173 | 7.931 | -4.758 |
| CH3CH2CH2CH3 | Butane | 3.215 | 7.688 | -4.473 |
| CH3CH2CH2CH3 | Butane | 3.235 | 7.688 | -4.452 |
| N(CH3)3 | Trimethylamine | 3.108 | 7.076 | -3.968 |
| CF2Cl2 | difluorodichloromethane | 2.506 | 6.370 | -3.864 |
| C3H8 | Propane | 2.416 | 5.921 | -3.505 |
| CH3COCH3 | Acetone | 2.637 | 6.096 | -3.459 |
| C3H6 | Cyclopropane | 2.235 | 5.640 | -3.405 |
| CH3NHCH3 | Dimethylamine | 2.282 | 5.447 | -3.166 |
| CH3OCH3 | Dimethyl ether | 2.063 | 5.160 | -3.097 |
| CH3Cl | Methyl chloride | 1.332 | 4.416 | -3.084 |
| CH2CCH2 | allene | 2.612 | 5.690 | -3.078 |
| CH3CH2OH | Ethanol | 2.041 | 5.112 | -3.072 |
| CF3Cl | Methane, chlorotrifluoro- | 1.826 | 4.740 | -2.915 |
| CH3Br | methyl bromide | 2.797 | 5.610 | -2.813 |
| H2S | Hydrogen sulfide | 0.859 | 3.631 | -2.772 |
| C2H4 | Ethylene | 1.545 | 4.188 | -2.643 |
| C2H6 | Ethane | 1.615 | 4.226 | -2.611 |
| CH3CHO | Acetaldehyde | 1.804 | 4.278 | -2.474 |
| C2H2 | Acetylene | 1.091 | 3.487 | -2.396 |
| CH3NH2 | methyl amine | 1.458 | 3.754 | -2.295 |
| CH2F2 | Methane, difluoro- | 1.055 | 3.200 | -2.145 |
| HCOOH | Formic acid | 1.384 | 3.319 | -1.935 |
| CH3OH | Methyl alcohol | 1.223 | 3.081 | -1.858 |
| H2CO | Formaldehyde | 0.951 | 2.770 | -1.818 |
| N2O | Nitrous oxide | 1.246 | 2.998 | -1.751 |
| NO2 | Nitrogen dioxide | 1.171 | 2.910 | -1.739 |
| CF4 | Carbon tetrafluoride | 1.165 | 2.824 | -1.659 |
| SO2 | Sulfur dioxide | 1.585 | 3.219 | -1.633 |
| CH4 | Methane | 0.820 | 2.448 | -1.628 |
| CH3F | Methyl fluoride | 0.947 | 2.540 | -1.593 |
| CO2 | Carbon dioxide | 1.032 | 2.507 | -1.476 |
| NH3 | Ammonia | 0.653 | 2.103 | -1.450 |
| CO | Carbon monoxide | 0.691 | 1.953 | -1.262 |
| NO | Nitric oxide | 0.549 | 1.698 | -1.149 |
| H2O | Water | 0.419 | 1.501 | -1.082 |
| N2 | Nitrogen diatomic | 0.631 | 1.710 | -1.079 |