|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 32.307 | 39.999 | -7.692 |
| CCl4 | Carbon tetrachloride | 7.706 | 10.002 | -2.297 |
| C5H5N | Pyridine | 7.666 | 9.493 | -1.827 |
| CH3SCH3 | Dimethyl sulfide | 5.743 | 7.550 | -1.808 |
| CFCl3 | Trichloromonofluoromethane | 6.262 | 7.931 | -1.669 |
| CH3Br | methyl bromide | 3.984 | 5.610 | -1.626 |
| CF2Cl2 | difluorodichloromethane | 4.803 | 6.370 | -1.568 |
| H2S | Hydrogen sulfide | 2.194 | 3.631 | -1.437 |
| C6H14 | Hexane | 10.040 | 11.447 | -1.407 |
| CH3Cl | Methyl chloride | 3.019 | 4.416 | -1.396 |
| CF3Cl | Methane, chlorotrifluoro- | 3.398 | 4.740 | -1.342 |
| C2H2 | Acetylene | 2.189 | 3.487 | -1.298 |
| HCl | Hydrogen chloride | 1.271 | 2.515 | -1.243 |
| C5H12 | Pentane | 8.369 | 9.579 | -1.209 |
| C2H4 | Ethylene | 2.993 | 4.188 | -1.194 |
| CH2F2 | Methane, difluoro- | 2.033 | 3.200 | -1.167 |
| C3H6 | Cyclopropane | 4.476 | 5.640 | -1.164 |
| CH2CCH2 | allene | 4.602 | 5.690 | -1.088 |
| CH3OCH3 | Dimethyl ether | 4.081 | 5.160 | -1.079 |
| CH3CH2OH | Ethanol | 4.045 | 5.112 | -1.068 |
| CH3CH2CH2CH3 | Butane | 6.665 | 7.688 | -1.023 |
| CH3CH2CH2CH3 | Butane | 6.720 | 7.688 | -0.968 |
| NO2 | Nitrogen dioxide | 2.004 | 2.910 | -0.906 |
| CH3COCH3 | Acetone | 5.203 | 6.096 | -0.893 |
| CH3NHCH3 | Dimethylamine | 4.605 | 5.447 | -0.842 |
| CH3NH2 | methyl amine | 2.913 | 3.754 | -0.840 |
| C3H8 | Propane | 5.088 | 5.921 | -0.833 |
| NH3 | Ammonia | 1.271 | 2.103 | -0.832 |
| N2O | Nitrous oxide | 2.171 | 2.998 | -0.827 |
| N(CH3)3 | Trimethylamine | 6.277 | 7.076 | -0.799 |
| HCOOH | Formic acid | 2.529 | 3.319 | -0.790 |
| H2CO | Formaldehyde | 2.008 | 2.770 | -0.761 |
| C2H6 | Ethane | 3.474 | 4.226 | -0.752 |
| CF4 | Carbon tetrafluoride | 2.116 | 2.824 | -0.709 |
| H2O | Water | 0.796 | 1.501 | -0.705 |
| CH3OH | Methyl alcohol | 2.407 | 3.081 | -0.674 |
| CH3CHO | Acetaldehyde | 3.655 | 4.278 | -0.623 |
| CO2 | Carbon dioxide | 1.908 | 2.507 | -0.599 |
| CH4 | Methane | 1.866 | 2.448 | -0.582 |
| CH3F | Methyl fluoride | 1.962 | 2.540 | -0.578 |
| NO | Nitric oxide | 1.142 | 1.698 | -0.556 |
| O2 | Oxygen diatomic | 1.034 | 1.562 | -0.528 |
| CO | Carbon monoxide | 1.442 | 1.953 | -0.511 |
| N2 | Nitrogen diatomic | 1.287 | 1.710 | -0.423 |
| SO2 | Sulfur dioxide | 2.962 | 3.219 | -0.256 |