|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 34.347 | 39.999 | -5.652 |
| C5H5N | Pyridine | 7.558 | 9.493 | -1.936 |
| CCl4 | Carbon tetrachloride | 8.139 | 10.002 | -1.864 |
| C6H14 | Hexane | 9.594 | 11.447 | -1.853 |
| CH3SCH3 | Dimethyl sulfide | 5.847 | 7.550 | -1.703 |
| C5H12 | Pentane | 8.034 | 9.579 | -1.545 |
| CFCl3 | Trichloromonofluoromethane | 6.607 | 7.931 | -1.324 |
| CF2Cl2 | difluorodichloromethane | 5.053 | 6.370 | -1.317 |
| CH3OCH3 | Dimethyl ether | 3.900 | 5.160 | -1.260 |
| CH3CH2CH2CH3 | Butane | 6.453 | 7.688 | -1.235 |
| CH3CH2OH | Ethanol | 3.900 | 5.112 | -1.212 |
| CF3Cl | Methane, chlorotrifluoro- | 3.530 | 4.740 | -1.210 |
| CH3CH2CH2CH3 | Butane | 6.490 | 7.688 | -1.197 |
| C3H6 | Cyclopropane | 4.446 | 5.640 | -1.194 |
| CH2F2 | Methane, difluoro- | 2.010 | 3.200 | -1.190 |
| N(CH3)3 | Trimethylamine | 5.922 | 7.076 | -1.154 |
| CH3COCH3 | Acetone | 4.964 | 6.096 | -1.132 |
| CH3Br | methyl bromide | 4.516 | 5.610 | -1.094 |
| C2H2 | Acetylene | 2.394 | 3.487 | -1.093 |
| H2S | Hydrogen sulfide | 2.550 | 3.631 | -1.080 |
| CH3Cl | Methyl chloride | 3.358 | 4.416 | -1.058 |
| CH3NHCH3 | Dimethylamine | 4.400 | 5.447 | -1.047 |
| C2H4 | Ethylene | 3.161 | 4.188 | -1.027 |
| C3H8 | Propane | 4.960 | 5.921 | -0.962 |
| HCOOH | Formic acid | 2.389 | 3.319 | -0.930 |
| CH3NH2 | methyl amine | 2.853 | 3.754 | -0.900 |
| CH2CCH2 | allene | 4.801 | 5.690 | -0.889 |
| HCl | Hydrogen chloride | 1.689 | 2.515 | -0.826 |
| NO2 | Nitrogen dioxide | 2.124 | 2.910 | -0.786 |
| N2O | Nitrous oxide | 2.214 | 2.998 | -0.784 |
| NH3 | Ammonia | 1.319 | 2.103 | -0.784 |
| C2H6 | Ethane | 3.445 | 4.226 | -0.781 |
| H2CO | Formaldehyde | 1.990 | 2.770 | -0.780 |
| CH3CHO | Acetaldehyde | 3.504 | 4.278 | -0.774 |
| CF4 | Carbon tetrafluoride | 2.113 | 2.824 | -0.712 |
| CH3OH | Methyl alcohol | 2.370 | 3.081 | -0.710 |
| H2O | Water | 0.870 | 1.501 | -0.631 |
| CO2 | Carbon dioxide | 1.913 | 2.507 | -0.594 |
| CH3F | Methyl fluoride | 1.968 | 2.540 | -0.572 |
| CH4 | Methane | 1.918 | 2.448 | -0.530 |
| CO | Carbon monoxide | 1.484 | 1.953 | -0.469 |
| NO | Nitric oxide | 1.257 | 1.698 | -0.441 |
| HD | Deuterium hydride | 0.368 | 0.791 | -0.423 |
| H2 | Hydrogen diatomic | 0.368 | 0.787 | -0.420 |
| D2 | Deuterium diatomic | 0.368 | 0.783 | -0.415 |
| SO2 | Sulfur dioxide | 2.835 | 3.219 | -0.383 |
| N2 | Nitrogen diatomic | 1.369 | 1.710 | -0.341 |
| O2 | Oxygen diatomic | 1.245 | 1.562 | -0.317 |