Carl L. Yaws
Abstract
The results are given in Table 1. The tabulation is arranged by carbon number (C, C2, C3, …). This provides ease of use in quickly locating the data by using the chemical formula. The compound name, CAS number, molecular weight, freezing point, boiling point, density, and refractive index are next presented. The properties are displayed for rapid usage in engineering and scientific applications. The table is based on both experimental data and estimated values.
The results are given in
Table 1. The tabulation is arranged by carbon number (C, C2, C3, …). This provides ease of use in quickly locating the data by using the chemical formula. The compound name, CAS number, molecular weight, freezing point, boiling point, density, and refractive index are next presented. The properties are displayed for rapid usage in engineering and scientific applications. The table is based on both experimental data and estimated values.
In the data collection, a literature search was conducted to identify data source publications (see References) for chemical compounds. Both experimental values for the property under consideration and parameter values for estimation of the property are included in the source publications. The publications were screened and copies of appropriate data were made. These data were then keyed into the computer to provide a database of physical properties for compounds for which experimental data are available. The database also served as a basis to check the accuracy of the estimation methods.
Upon completion of data collection, estimation of the properties for the remaining compounds was performed. The estimates are based on literature methods and proprietary procedures developed by the author.
A code of 1 in the tabulation is based on experimental data. A code of 2 indicates an estimate. The estimates with a code of 3 should be considered rough approximations. The estimates with a code of 2 are more accurate. For those substances which undergo decomposition (such as nitro compounds with explosive decomposition and very large compounds with thermal decomposition) prior to attaining the boiling point temperature, the boiling point temperature is a hypothetical value. If initial analysis using the estimates is favorable, follow-up experimental determination is recommended.
Comparisons of estimates (equation) and data for boiling point temperature are shown in Figures
1-1–
1-6 for representative chemicals. The graphs indicate general agreement of estimates and data.
Figure 1-1 Boiling Point of Alkanes
Figure 1-2 Boiling Point of Cyclohexanes
Figure 1-3 Boiling Point of Primary Amines (Alkanoic)
Figure 1-4 Boiling Point of Aldehydes (Alkanoic)
Figure 1-5 Boiling Point of Mercaptans (Alkanoic)
Figure 1-6 Boiling Point of Monochloroalkanes
Example
In an engineering analysis, the molecular weight, freezing point, boiling point, density, and refractive index are needed for carbon tetrachloride (CCl4). Determine these properties for the compound.
Inspection of the table discloses the following for carbon tetrachloride:
molecular weight = 153.821 g/mol
freezing point = 250.33 K
boiling point = 349.80 K
density at 25 °C = 1.583 g/cm3
refractive index at 25 °C = 1.4573
Table 1
Physical Properties – Organic Compounds
| Mol Wt | Freezing Point | Boiling Point | Density | Refractive Index |
| NO | FORMULA | NAME | CAS No | g/mol | TF, K | code | TB, K | code | T, C | g/cm3 | code | T, C | nD | code |
| 1 | CAgF3O3S | silver trifluoromethanesulfonate | 2923-28-6 | 256.937 | 629.15 | 1 | --- | --- | --- | --- | --- | --- | --- | --- |
| 2 | CAgN | silver cyanide | 506-64-9 | 133.884 | >573.15 | 1 | --- | --- | --- | --- | --- | --- | --- | --- |
| 3 | CAgNO | silver cyanate | 3315-16-0 | 149.883 | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- |
| 4 | CAgNS | silver(i) thiocyanate | 1701-93-5 | 165.950 | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- |
| 5 | CAgN3O6 | silver trinitromethanide | 25987-94-4 | 257.894 | 370.95 | 1 | --- | --- | --- | --- | --- | --- | --- | --- |
| 6 | CAgN3S2 | silver azidodithioformate | 74093-43-9 | 226.030 | --- | --- | 1154.15 | 3 | --- | --- | --- | --- | --- | --- |
| 7 | CAg2Cl3O3P | silver trichloromethanephosphonate | --- | 413.073 | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- |
| 8 | CAg2N2 | disilver cyanamide | --- | 255.757 | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- |
| 9 | CAg2O3 | silver carbonate | 534-16-7 | 275.741 | 487.15 | 1 | --- | --- | --- | --- | --- | --- | --- | --- |
| 10 | CAsCl2F3 | dichloro(trifluoro-methyl)arsine | 421-32-9 | 214.833 | --- | --- | 353.30 | 3 | --- | --- | --- | --- | --- | --- |
| 11 | CAuN | gold(i) cyanide | 506-65-0 | 222.985 | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- |
| 12 | CB4 | boron carbide | 12069-32-8 | 55.255 | 2623.15 | 1 | 3773.15 | 3 | --- | --- | --- | --- | --- | --- |
| 13 | CBaO3 | barium carbonate | 513-77-9 | 197.336 | 811.00 | 1 | 1723.15 | 3 | --- | --- | --- | --- | --- | --- |
| 14 | CBrClF2 | bromochlorodifluoromethane | 353-59-3 | 165.365 | 113.65 | 1 | 270.60 | 1 | 25 | 1.8100 | 1 | 25 | 1.3371 | 2 |
| 15 | CBrClN2O4 | bromochlorodinitromethane | 33829-48-0 | 219.379 | 282.45 | 1 | --- | --- | 20 | 2.3040 | 3 | 25 | 1.5710 | 2 |
| 16 | CBrCl2F | bromodichlorofluoromethane | 353-58-2 | 181.819 | 113.65 | 1 | 325.90 | 1 | 25 | 1.6960 | 3 | 25 | 1.5755 | 2 |
| 17 | CBrCl3 | bromotrichloromethane | 75-62-7 | 198.273 | 252.15 | 1 | 376.65 | 1 | 25 | 1.9940 | 1 | 25 | 1.5060 | 2 |
| 18 | CBrFO | carbonic bromide fluoride | 753-56-0 | 126.913 | --- | --- | 252.59 | 3 | --- | --- | --- | 25 | 1.5660 | 2 |
| 19 | CBrF3 | bromotrifluoromethane | 75-63-8 | 148.911 | 105.15 | 1 | 215.30 | 1 | 25 | 1.5360 | 1 | 25 | 1.2380 | 1 |
| 20 | CBrF3O3S | bromine trifluoromethanesulfonate | 70142-16-4 | 228.975 | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- |
EPUB (Adobe DRM)
