|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 36.353 | 39.999 | -3.647 |
| CCl4 | Carbon tetrachloride | 8.090 | 10.002 | -1.912 |
| CH3SCH3 | Dimethyl sulfide | 6.086 | 7.550 | -1.464 |
| C6H14 | Hexane | 10.008 | 11.447 | -1.440 |
| CFCl3 | Trichloromonofluoromethane | 6.537 | 7.931 | -1.394 |
| CF2Cl2 | difluorodichloromethane | 4.999 | 6.370 | -1.371 |
| CH3Br | methyl bromide | 4.327 | 5.610 | -1.283 |
| CF3Cl | Methane, chlorotrifluoro- | 3.527 | 4.740 | -1.213 |
| C5H12 | Pentane | 8.386 | 9.579 | -1.192 |
| CH2F2 | Methane, difluoro- | 2.024 | 3.200 | -1.176 |
| CH3Cl | Methyl chloride | 3.254 | 4.416 | -1.162 |
| H2S | Hydrogen sulfide | 2.481 | 3.631 | -1.150 |
| CH3OCH3 | Dimethyl ether | 4.044 | 5.160 | -1.116 |
| CH3CH2OH | Ethanol | 4.051 | 5.112 | -1.062 |
| HCl | Hydrogen chloride | 1.470 | 2.515 | -1.045 |
| C5H5N | Pyridine | 8.517 | 9.493 | -0.976 |
| C6H5F | Fluorobenzene | 9.235 | 10.200 | -0.965 |
| CH3CH2CH2CH3 | Butane | 6.736 | 7.688 | -0.952 |
| Ar | Argon atom | 0.722 | 1.664 | -0.942 |
| C3H6 | Cyclopropane | 4.705 | 5.640 | -0.935 |
| CH3CH2CH2CH3 | Butane | 6.770 | 7.688 | -0.918 |
| CH3COCH3 | Acetone | 5.279 | 6.096 | -0.818 |
| CH3NHCH3 | Dimethylamine | 4.653 | 5.447 | -0.795 |
| C2H2 | Acetylene | 2.726 | 3.487 | -0.761 |
| C3H8 | Propane | 5.164 | 5.921 | -0.757 |
| HCOOH | Formic acid | 2.567 | 3.319 | -0.752 |
| N(CH3)3 | Trimethylamine | 6.326 | 7.076 | -0.750 |
| CH3NH2 | methyl amine | 3.020 | 3.754 | -0.733 |
| H2CO | Formaldehyde | 2.082 | 2.770 | -0.687 |
| NH3 | Ammonia | 1.422 | 2.103 | -0.681 |
| C2H6 | Ethane | 3.548 | 4.226 | -0.678 |
| N2O | Nitrous oxide | 2.328 | 2.998 | -0.670 |
| CF4 | Carbon tetrafluoride | 2.178 | 2.824 | -0.647 |
| CH3OH | Methyl alcohol | 2.439 | 3.081 | -0.641 |
| H | Hydrogen atom | 0.038 | 0.667 | -0.629 |
| NO2 | Nitrogen dioxide | 2.291 | 2.910 | -0.619 |
| H2O | Water | 0.887 | 1.501 | -0.614 |
| C2H4 | Ethylene | 3.593 | 4.188 | -0.594 |
| CH3F | Methyl fluoride | 1.970 | 2.540 | -0.570 |
| CH3CHO | Acetaldehyde | 3.729 | 4.278 | -0.549 |
| CO2 | Carbon dioxide | 1.962 | 2.507 | -0.545 |
| CH4 | Methane | 1.930 | 2.448 | -0.518 |
| 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 |
| C | Carbon atom | 1.365 | 1.760 | -0.395 |
| NO | Nitric oxide | 1.316 | 1.698 | -0.382 |
| O | Oxygen atom | 0.440 | 0.802 | -0.362 |
| CO | Carbon monoxide | 1.597 | 1.953 | -0.356 |
| Li | Lithium atom | 23.977 | 24.330 | -0.353 |
| CH2CCH2 | allene | 5.355 | 5.690 | -0.335 |
| N | Nitrogen atom | 0.775 | 1.100 | -0.325 |
| N2 | Nitrogen diatomic | 1.437 | 1.710 | -0.273 |
| F | Fluorine atom | 0.308 | 0.557 | -0.249 |
| O2 | Oxygen diatomic | 1.320 | 1.562 | -0.242 |
| B | Boron atom | 2.806 | 3.030 | -0.224 |
| He | Helium atom | 0.057 | 0.208 | -0.151 |
| SO2 | Sulfur dioxide | 3.070 | 3.219 | -0.149 |
| Ne | Neon atom | 0.239 | 0.381 | -0.142 |
| Be | Beryllium atom | 6.792 | 5.600 | 1.192 |
| Na | Sodium atom | 27.816 | 24.110 | 3.706 |