|
|
III.G.11. |
| species | name | calculated | experimental | difference |
|---|---|---|---|---|
| NaLi | lithium sodium | 34.748 | 39.999 | -5.251 |
| CCl4 | Carbon tetrachloride | 7.164 | 10.002 | -2.838 |
| C6H5F | Fluorobenzene | 7.399 | 10.200 | -2.801 |
| C5H5N | Pyridine | 6.804 | 9.493 | -2.689 |
| CH3SCH3 | Dimethyl sulfide | 5.252 | 7.550 | -2.298 |
| C6H14 | Hexane | 9.219 | 11.447 | -2.228 |
| CFCl3 | Trichloromonofluoromethane | 5.713 | 7.931 | -2.217 |
| CF2Cl2 | difluorodichloromethane | 4.221 | 6.370 | -2.150 |
| CH3Br | methyl bromide | 3.567 | 5.610 | -2.043 |
| CF3Cl | Methane, chlorotrifluoro- | 2.769 | 4.740 | -1.972 |
| C5H12 | Pentane | 7.688 | 9.579 | -1.891 |
| H2S | Hydrogen sulfide | 2.017 | 3.631 | -1.613 |
| C2H2 | Acetylene | 1.875 | 3.487 | -1.611 |
| CH3Cl | Methyl chloride | 2.822 | 4.416 | -1.594 |
| CH3CH2CH2CH3 | Butane | 6.107 | 7.688 | -1.581 |
| CH2F2 | Methane, difluoro- | 1.622 | 3.200 | -1.578 |
| S | Sulfur atom | 1.337 | 2.900 | -1.563 |
| CH2CCH2 | allene | 4.137 | 5.690 | -1.553 |
| C3H6 | Cyclopropane | 4.102 | 5.640 | -1.538 |
| CH3CH2CH2CH3 | Butane | 6.175 | 7.688 | -1.512 |
| C2H4 | Ethylene | 2.698 | 4.188 | -1.490 |
| CH3OCH3 | Dimethyl ether | 3.671 | 5.160 | -1.488 |
| CH3COCH3 | Acetone | 4.630 | 6.096 | -1.466 |
| CH3CH2OH | Ethanol | 3.653 | 5.112 | -1.459 |
| N(CH3)3 | Trimethylamine | 5.647 | 7.076 | -1.429 |
| Cl | Chlorine atom | 0.781 | 2.180 | -1.399 |
| CF4 | Carbon tetrafluoride | 1.451 | 2.824 | -1.374 |
| HCl | Hydrogen chloride | 1.186 | 2.515 | -1.328 |
| CH3NHCH3 | Dimethylamine | 4.123 | 5.447 | -1.324 |
| NO2 | Nitrogen dioxide | 1.611 | 2.910 | -1.300 |
| Li | Lithium atom | 23.032 | 24.330 | -1.298 |
| N2O | Nitrous oxide | 1.744 | 2.998 | -1.253 |
| HCOOH | Formic acid | 2.070 | 3.319 | -1.250 |
| C3H8 | Propane | 4.678 | 5.921 | -1.244 |
| CH3NH2 | methyl amine | 2.547 | 3.754 | -1.206 |
| NH3 | Ammonia | 0.948 | 2.103 | -1.155 |
| Ar | Argon atom | 0.581 | 1.664 | -1.084 |
| H2CO | Formaldehyde | 1.693 | 2.770 | -1.077 |
| CH3CHO | Acetaldehyde | 3.205 | 4.278 | -1.073 |
| C2H6 | Ethane | 3.200 | 4.226 | -1.026 |
| B | Boron atom | 2.037 | 3.030 | -0.993 |
| CO2 | Carbon dioxide | 1.528 | 2.507 | -0.979 |
| CH3OH | Methyl alcohol | 2.135 | 3.081 | -0.946 |
| H2O | Water | 0.616 | 1.501 | -0.885 |
| C | Carbon atom | 0.887 | 1.760 | -0.873 |
| CH3F | Methyl fluoride | 1.687 | 2.540 | -0.853 |
| NO | Nitric oxide | 0.876 | 1.698 | -0.823 |
| SO2 | Sulfur dioxide | 2.400 | 3.219 | -0.818 |
| O2 | Oxygen diatomic | 0.792 | 1.562 | -0.770 |
| CH4 | Methane | 1.707 | 2.448 | -0.741 |
| CO | Carbon monoxide | 1.240 | 1.953 | -0.714 |
| N2 | Nitrogen diatomic | 1.019 | 1.710 | -0.691 |
| N | Nitrogen atom | 0.444 | 1.100 | -0.656 |
| O | Oxygen atom | 0.179 | 0.802 | -0.623 |
| F | Fluorine atom | 0.067 | 0.557 | -0.490 |
| Be | Beryllium atom | 5.683 | 5.600 | 0.083 |
| Na | Sodium atom | 24.556 | 24.110 | 0.446 |