|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 9.328 | 39.999 | -30.671 |
| C6H14 | Hexane | 5.022 | 11.447 | -6.426 |
| CCl4 | Carbon tetrachloride | 4.067 | 10.002 | -5.935 |
| C5H12 | Pentane | 4.157 | 9.579 | -5.422 |
| CH3SCH3 | Dimethyl sulfide | 2.700 | 7.550 | -4.850 |
| C5H5N | Pyridine | 4.746 | 9.493 | -4.748 |
| CFCl3 | Trichloromonofluoromethane | 3.396 | 7.931 | -4.535 |
| CH3CH2CH2CH3 | Butane | 3.279 | 7.688 | -4.409 |
| CH3CH2CH2CH3 | Butane | 3.301 | 7.688 | -4.387 |
| N(CH3)3 | Trimethylamine | 3.215 | 7.076 | -3.861 |
| CF2Cl2 | difluorodichloromethane | 2.686 | 6.370 | -3.684 |
| C3H8 | Propane | 2.458 | 5.921 | -3.463 |
| C3H6 | Cyclopropane | 2.269 | 5.640 | -3.371 |
| CH3COCH3 | Acetone | 2.731 | 6.096 | -3.366 |
| CH3NHCH3 | Dimethylamine | 2.359 | 5.447 | -3.088 |
| CH3Cl | Methyl chloride | 1.351 | 4.416 | -3.064 |
| CH2CCH2 | allene | 2.637 | 5.690 | -3.053 |
| CH3OCH3 | Dimethyl ether | 2.134 | 5.160 | -3.026 |
| CH3CH2OH | Ethanol | 2.101 | 5.112 | -3.011 |
| CF3Cl | Methane, chlorotrifluoro- | 1.975 | 4.740 | -2.765 |
| H2S | Hydrogen sulfide | 0.870 | 3.631 | -2.760 |
| C2H4 | Ethylene | 1.551 | 4.188 | -2.636 |
| C2H6 | Ethane | 1.637 | 4.226 | -2.589 |
| CH3CHO | Acetaldehyde | 1.865 | 4.278 | -2.413 |
| C2H2 | Acetylene | 1.108 | 3.487 | -2.379 |
| CH3NH2 | methyl amine | 1.509 | 3.754 | -2.245 |
| CH2F2 | Methane, difluoro- | 1.117 | 3.200 | -2.083 |
| HCOOH | Formic acid | 1.449 | 3.319 | -1.871 |
| CH3OH | Methyl alcohol | 1.263 | 3.081 | -1.818 |
| H2CO | Formaldehyde | 0.976 | 2.770 | -1.794 |
| NO2 | Nitrogen dioxide | 1.150 | 2.910 | -1.760 |
| N2O | Nitrous oxide | 1.269 | 2.998 | -1.728 |
| SO2 | Sulfur dioxide | 1.590 | 3.219 | -1.629 |
| CH4 | Methane | 0.826 | 2.448 | -1.622 |
| CH3F | Methyl fluoride | 0.979 | 2.540 | -1.561 |
| CF4 | Carbon tetrafluoride | 1.275 | 2.824 | -1.549 |
| CO2 | Carbon dioxide | 1.060 | 2.507 | -1.448 |
| NH3 | Ammonia | 0.685 | 2.103 | -1.418 |
| CO | Carbon monoxide | 0.701 | 1.953 | -1.252 |
| NO | Nitric oxide | 0.557 | 1.698 | -1.141 |
| N2 | Nitrogen diatomic | 0.640 | 1.710 | -1.070 |
| H2O | Water | 0.432 | 1.501 | -1.069 |