|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 32.088 | 39.999 | -7.911 |
| CCl4 | Carbon tetrachloride | 7.541 | 10.002 | -2.461 |
| CH3Br | methyl bromide | 3.178 | 5.610 | -2.432 |
| C5H5N | Pyridine | 7.514 | 9.493 | -1.979 |
| CFCl3 | Trichloromonofluoromethane | 6.039 | 7.931 | -1.892 |
| CH3SCH3 | Dimethyl sulfide | 5.697 | 7.550 | -1.853 |
| CF2Cl2 | difluorodichloromethane | 4.543 | 6.370 | -1.827 |
| CF3Cl | Methane, chlorotrifluoro- | 3.132 | 4.740 | -1.609 |
| CH3Cl | Methyl chloride | 2.842 | 4.416 | -1.574 |
| C6H14 | Hexane | 9.910 | 11.447 | -1.537 |
| H2S | Hydrogen sulfide | 2.115 | 3.631 | -1.516 |
| HCl | Hydrogen chloride | 1.025 | 2.515 | -1.490 |
| C2H2 | Acetylene | 2.083 | 3.487 | -1.404 |
| CH2F2 | Methane, difluoro- | 1.862 | 3.200 | -1.338 |
| C5H12 | Pentane | 8.265 | 9.579 | -1.314 |
| C2H4 | Ethylene | 2.924 | 4.188 | -1.264 |
| C3H6 | Cyclopropane | 4.405 | 5.640 | -1.235 |
| CH2CCH2 | allene | 4.500 | 5.690 | -1.190 |
| CH3CH2OH | Ethanol | 3.977 | 5.112 | -1.135 |
| CH3OCH3 | Dimethyl ether | 4.039 | 5.160 | -1.120 |
| CH3CH2CH2CH3 | Butane | 6.588 | 7.688 | -1.100 |
| NH3 | Ammonia | 1.017 | 2.103 | -1.086 |
| CH3CH2CH2CH3 | Butane | 6.639 | 7.688 | -1.049 |
| NO2 | Nitrogen dioxide | 1.901 | 2.910 | -1.009 |
| CH3COCH3 | Acetone | 5.121 | 6.096 | -0.975 |
| CH3NH2 | methyl amine | 2.787 | 3.754 | -0.966 |
| CF4 | Carbon tetrafluoride | 1.892 | 2.824 | -0.932 |
| N2O | Nitrous oxide | 2.095 | 2.998 | -0.903 |
| CH3NHCH3 | Dimethylamine | 4.549 | 5.447 | -0.898 |
| C3H8 | Propane | 5.027 | 5.921 | -0.895 |
| HCOOH | Formic acid | 2.459 | 3.319 | -0.860 |
| H2CO | Formaldehyde | 1.930 | 2.770 | -0.839 |
| N(CH3)3 | Trimethylamine | 6.257 | 7.076 | -0.819 |
| C2H6 | Ethane | 3.425 | 4.226 | -0.801 |
| H2O | Water | 0.704 | 1.501 | -0.797 |
| CH3OH | Methyl alcohol | 2.342 | 3.081 | -0.739 |
| CH3CHO | Acetaldehyde | 3.581 | 4.278 | -0.697 |
| CH3F | Methyl fluoride | 1.844 | 2.540 | -0.695 |
| CO2 | Carbon dioxide | 1.845 | 2.507 | -0.662 |
| NO | Nitric oxide | 1.054 | 1.698 | -0.645 |
| O2 | Oxygen diatomic | 0.918 | 1.562 | -0.644 |
| CH4 | Methane | 1.827 | 2.448 | -0.621 |
| CO | Carbon monoxide | 1.405 | 1.953 | -0.548 |
| N2 | Nitrogen diatomic | 1.221 | 1.710 | -0.489 |
| SO2 | Sulfur dioxide | 3.175 | 3.219 | -0.044 |