|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 9.291 | 39.999 | -30.709 |
| C6H14 | Hexane | 5.050 | 11.447 | -6.397 |
| CCl4 | Carbon tetrachloride | 3.962 | 10.002 | -6.041 |
| C5H12 | Pentane | 4.183 | 9.579 | -5.396 |
| C6H5F | Fluorobenzene | 5.323 | 10.200 | -4.877 |
| CH3SCH3 | Dimethyl sulfide | 2.722 | 7.550 | -4.828 |
| C5H5N | Pyridine | 4.710 | 9.493 | -4.783 |
| CFCl3 | Trichloromonofluoromethane | 3.315 | 7.931 | -4.616 |
| CH3CH2CH2CH3 | Butane | 3.302 | 7.688 | -4.386 |
| CH3CH2CH2CH3 | Butane | 3.324 | 7.688 | -4.363 |
| CH3Br | methyl bromide | 1.525 | 5.610 | -4.085 |
| N(CH3)3 | Trimethylamine | 3.207 | 7.076 | -3.869 |
| CF2Cl2 | difluorodichloromethane | 2.613 | 6.370 | -3.758 |
| C3H8 | Propane | 2.479 | 5.921 | -3.443 |
| CH3COCH3 | Acetone | 2.706 | 6.096 | -3.390 |
| C3H6 | Cyclopropane | 2.292 | 5.640 | -3.348 |
| CH3NHCH3 | Dimethylamine | 2.352 | 5.447 | -3.096 |
| CH3Cl | Methyl chloride | 1.373 | 4.416 | -3.043 |
| CH3OCH3 | Dimethyl ether | 2.123 | 5.160 | -3.036 |
| CH2CCH2 | allene | 2.659 | 5.690 | -3.031 |
| CH3CH2OH | Ethanol | 2.099 | 5.112 | -3.013 |
| CF3Cl | Methane, chlorotrifluoro- | 1.899 | 4.740 | -2.841 |
| H2S | Hydrogen sulfide | 0.873 | 3.631 | -2.758 |
| C2H4 | Ethylene | 1.574 | 4.188 | -2.614 |
| C2H6 | Ethane | 1.653 | 4.226 | -2.573 |
| CH3CHO | Acetaldehyde | 1.844 | 4.278 | -2.434 |
| C2H2 | Acetylene | 1.105 | 3.487 | -2.382 |
| CH3NH2 | methyl amine | 1.500 | 3.754 | -2.253 |
| CH2F2 | Methane, difluoro- | 1.083 | 3.200 | -2.117 |
| HCOOH | Formic acid | 1.417 | 3.319 | -1.902 |
| CH3OH | Methyl alcohol | 1.257 | 3.081 | -1.824 |
| H2CO | Formaldehyde | 0.967 | 2.770 | -1.803 |
| N2O | Nitrous oxide | 1.264 | 2.998 | -1.734 |
| NO2 | Nitrogen dioxide | 1.179 | 2.910 | -1.731 |
| CF4 | Carbon tetrafluoride | 1.203 | 2.824 | -1.622 |
| SO2 | Sulfur dioxide | 1.598 | 3.219 | -1.620 |
| CH4 | Methane | 0.837 | 2.448 | -1.612 |
| CH3F | Methyl fluoride | 0.969 | 2.540 | -1.571 |
| CO2 | Carbon dioxide | 1.045 | 2.507 | -1.462 |
| NH3 | Ammonia | 0.671 | 2.103 | -1.431 |
| CO | Carbon monoxide | 0.695 | 1.953 | -1.258 |
| NO | Nitric oxide | 0.554 | 1.698 | -1.144 |
| N2 | Nitrogen diatomic | 0.636 | 1.710 | -1.074 |
| H2O | Water | 0.431 | 1.501 | -1.070 |