Benzenemethanethiol
- Formula: C7H8S
- Molecular weight: 124.203
- IUPAC Standard InChI: InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
- IUPAC Standard InChIKey: UENWRTRMUIOCKN-UHFFFAOYSA-N
- CAS Registry Number: 100-53-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: α-Toluenethiol; α-Mercaptotoluene; α-Toluolthiol; (Mercaptomethyl)benzene; Benzyl mercaptan; Benzylthiol; Phenylmethanethiol; Phenylmethyl mercaptan; Thiobenzyl alcohol; α-Tolyl mercaptan; Methanethiol, phenyl-; USAF ex-1509; Benzylhydrosulfide; NSC 41897; toluene-α-thiol
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Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 467.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 468. | K | N/A | American Tokyo Kasei, 1988 | BS |
| Tboil | 467.15 | K | N/A | Hoffmann, Ess, et al., 1956 | Uncertainty assigned by TRC = 2. K; TRC |
| Tboil | 467. | K | N/A | Zinner, 1953 | Uncertainty assigned by TRC = 3. K; TRC |
| Tboil | 468. | K | N/A | Backer and Dijkstra, 1932 | Uncertainty assigned by TRC = 3. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 56.6 ± 0.2 | kJ/mol | V | Good, 1972 | ALS |
| ΔvapH° | 56.6 | kJ/mol | N/A | Good, 1972 | DRB |
| ΔvapH° | 56.6 ± 0.1 | kJ/mol | N/A | Good, 1972 | AC |
| ΔvapH° | 51. ± 2. | kJ/mol | E | Mackle and McClean, 1962 | ALS |
| ΔvapH° | 43.8 | kJ/mol | N/A | Mackle and McClean, 1962 | DRB |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 47.5 | 409. | Dykyj, Svoboda, et al., 1999 | Based on data from 394. - 436. K.; AC |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
American Tokyo Kasei, 1988
American Tokyo Kasei,
TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]
Hoffmann, Ess, et al., 1956
Hoffmann, F.W.; Ess, R.J.; Simmons, T.C.; Hanzel, R.S.,
The Desulfurization of Mercaptans with Trialkyl Phosphites,
J. Am. Chem. Soc., 1956, 78, 6414. [all data]
Zinner, 1953
Zinner, H.,
Perparation of Mercaptans,
Chem. Ber., 1953, 86, 825. [all data]
Backer and Dijkstra, 1932
Backer, H.J.; Dijkstra, N.D.,
The Thioethers of Pentaerythritol,
Recl. Trav. Chim. Pays-Bas, 1932, 51, 289. [all data]
Good, 1972
Good, W.D.,
Enthalpies of combustion of 18 organic sulfur compounds related to petroleum,
J. Chem. Eng. Data, 1972, 17, 158-162. [all data]
Mackle and McClean, 1962
Mackle, H.; McClean, R.T.B.,
Studies in the thermochemistry of organic sulphides. Part 4.-Heat of formation of the mercaptyl radical,
Trans. Faraday Soc., 1962, 58, 895-899. [all data]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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