Benzenecarbothioamide
- Formula: C7H7NS
- Molecular weight: 137.202
- IUPAC Standard InChI: InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
- IUPAC Standard InChIKey: QIOZLISABUUKJY-UHFFFAOYSA-N
- CAS Registry Number: 2227-79-4
- 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: Benzamide, thio-; Benzothiamide; Benzothioamide; Thiobenzamide; Phenylthioamide; Tiobenzamide
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 35.33 ± 0.65 | kcal/mol | Ccr | Ribeiro Da Silva, Souza, et al., 1989 | |
| ΔfH°gas | 31.31 ± 0.31 | kcal/mol | Ccr | Sabbah and Gomez, 1982 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, References, Notes
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 10.6 ± 0.36 | kcal/mol | Ccr | Ribeiro Da Silva, Souza, et al., 1989 | ALS |
| ΔfH°solid | 8.08 ± 0.26 | kcal/mol | Ccr | Sabbah and Gomez, 1982 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1052.0 ± 0.26 | kcal/mol | Ccr | Ribeiro Da Silva, Souza, et al., 1989 | ALS |
| ΔcH°solid | -1049.42 ± 0.24 | kcal/mol | Ccr | Sabbah and Gomez, 1982 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 36.52 | 298. | Sabbah and Torres-Gomez, 1982 | Cp given as 1.114 J K-1 g-1.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 24.71 ± 0.53 | kcal/mol | C | Ribeiro Da Silva, Souza, et al., 1989 | AC |
| ΔsubH° | 23.23 ± 0.14 | kcal/mol | C | Sabbah and Gomez, 1982 | ALS |
| ΔsubH° | 23.2 ± 0.1 | kcal/mol | C | Sabbah and Gomez, 1982 | AC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 23.231 | 298.15 | N/A | Sabbah and Torres-Gomez, 1982 | DH |
| 24.71 ± 0.53 | 289. | C | Ribeiro Da Silva, Souza, et al., 1989 | ALS |
Entropy of sublimation
| ΔsubS (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 77.92 | 298.15 | Sabbah and Torres-Gomez, 1982 | DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro Da Silva, Souza, et al., 1989
Ribeiro Da Silva, M.D.M.C.; Souza, P.; Pilcher, G.,
Enthalpies of combustion of thiobenzamide, N,N-dimethylthiobenzamide, and N,N-diethylthiobenzamide,
J. Chem. Thermodyn., 1989, 21, 173-178. [all data]
Sabbah and Gomez, 1982
Sabbah, R.; Gomez, L.A.T.,
Thermodynamique de substances soufrees. III. Etude thermochimique de la thioacetamide et de la thiobenzamide,
Thermochim. Acta, 1982, 52, 285-295. [all data]
Sabbah and Torres-Gomez, 1982
Sabbah, R.; Torres-Gomez, L.A.,
Thermodynamics of sulfur-containing compounds. III. Thermochemical study of thioacetamide and thiobenzamide,
Thermochim. Acta, 1982, 52, 285-295. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔsubS Entropy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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