|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 34.147 | 39.999 | -5.852 |
| C6H5F | Fluorobenzene | 7.668 | 10.200 | -2.532 |
| CCl4 | Carbon tetrachloride | 7.532 | 10.002 | -2.470 |
| C5H5N | Pyridine | 7.030 | 9.493 | -2.463 |
| CH3SCH3 | Dimethyl sulfide | 5.387 | 7.550 | -2.163 |
| CH3Br | methyl bromide | 3.615 | 5.610 | -1.995 |
| C6H14 | Hexane | 9.479 | 11.447 | -1.968 |
| CFCl3 | Trichloromonofluoromethane | 6.017 | 7.931 | -1.914 |
| CF2Cl2 | difluorodichloromethane | 4.469 | 6.370 | -1.902 |
| CF3Cl | Methane, chlorotrifluoro- | 2.957 | 4.740 | -1.783 |
| C5H12 | Pentane | 7.894 | 9.579 | -1.684 |
| H2S | Hydrogen sulfide | 2.049 | 3.631 | -1.582 |
| C2H2 | Acetylene | 1.906 | 3.487 | -1.581 |
| CH3Cl | Methyl chloride | 2.870 | 4.416 | -1.545 |
| CH2F2 | Methane, difluoro- | 1.724 | 3.200 | -1.476 |
| CH2CCH2 | allene | 4.225 | 5.690 | -1.465 |
| C3H6 | Cyclopropane | 4.187 | 5.640 | -1.453 |
| C2H4 | Ethylene | 2.742 | 4.188 | -1.446 |
| CH3CH2CH2CH3 | Butane | 6.280 | 7.688 | -1.408 |
| CH3CH2CH2CH3 | Butane | 6.331 | 7.688 | -1.357 |
| CH3OCH3 | Dimethyl ether | 3.826 | 5.160 | -1.334 |
| CH3CH2OH | Ethanol | 3.793 | 5.112 | -1.319 |
| HCl | Hydrogen chloride | 1.199 | 2.515 | -1.316 |
| CH3COCH3 | Acetone | 4.801 | 6.096 | -1.295 |
| NO2 | Nitrogen dioxide | 1.641 | 2.910 | -1.269 |
| CF4 | Carbon tetrafluoride | 1.572 | 2.824 | -1.252 |
| N2O | Nitrous oxide | 1.787 | 2.998 | -1.211 |
| N(CH3)3 | Trimethylamine | 5.865 | 7.076 | -1.211 |
| CH3NHCH3 | Dimethylamine | 4.292 | 5.447 | -1.155 |
| C3H8 | Propane | 4.786 | 5.921 | -1.135 |
| HCOOH | Formic acid | 2.196 | 3.319 | -1.123 |
| CH3NH2 | methyl amine | 2.666 | 3.754 | -1.087 |
| NH3 | Ammonia | 1.031 | 2.103 | -1.072 |
| H2CO | Formaldehyde | 1.766 | 2.770 | -1.003 |
| C2H6 | Ethane | 3.264 | 4.226 | -0.963 |
| CH3CHO | Acetaldehyde | 3.335 | 4.278 | -0.943 |
| CO2 | Carbon dioxide | 1.588 | 2.507 | -0.920 |
| CH3OH | Methyl alcohol | 2.229 | 3.081 | -0.852 |
| H2O | Water | 0.657 | 1.501 | -0.844 |
| NO | Nitric oxide | 0.894 | 1.698 | -0.804 |
| CH3F | Methyl fluoride | 1.757 | 2.540 | -0.783 |
| O2 | Oxygen diatomic | 0.791 | 1.562 | -0.771 |
| SO2 | Sulfur dioxide | 2.500 | 3.219 | -0.718 |
| CH4 | Methane | 1.736 | 2.448 | -0.712 |
| CO | Carbon monoxide | 1.270 | 1.953 | -0.683 |
| N2 | Nitrogen diatomic | 1.039 | 1.710 | -0.671 |