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, Phase change data, Gas phase ion energetics 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 | 147.8 ± 2.7 | kJ/mol | Ccr | Ribeiro Da Silva, Souza, et al., 1989 | |
| ΔfH°gas | 131.0 ± 1.3 | kJ/mol | Ccr | Sabbah and Gomez, 1982 |
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:
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° | 103.4 ± 2.2 | kJ/mol | C | Ribeiro Da Silva, Souza, et al., 1989 | AC |
| ΔsubH° | 97.20 ± 0.60 | kJ/mol | C | Sabbah and Gomez, 1982 | ALS |
| ΔsubH° | 97.2 ± 0.6 | kJ/mol | C | Sabbah and Gomez, 1982 | AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 97.200 | 298.15 | N/A | Sabbah and Torres-Gomez, 1982 | DH |
| 103.4 ± 2.2 | 289. | C | Ribeiro Da Silva, Souza, et al., 1989 | ALS |
Entropy of sublimation
| ΔsubS (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 326.0 | 298.15 | Sabbah and Torres-Gomez, 1982 | DH |
Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.8 | EI | Grutzmacher, 1981 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H5S+ | 12.2 | NH2 | EI | Grutzmacher, 1981 | LLK |
| C7H6NS+ | 11.8 | H | EI | Grutzmacher, 1981 | LLK |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics 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]
Grutzmacher, 1981
Grutzmacher, H.-F.,
The loss of ortho halogeno substituents from substituted thiobenzamide ions,
Org. Mass Spectrom., 1981, 16, 448. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas 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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