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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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, 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°liquid | 36.5 ± 1.1 | kJ/mol | Ccr | Good, 1972 | |
| ΔfH°liquid | 43.9 ± 2.1 | kJ/mol | Ccr | Mackle and McClean, 1962 | Reanalyzed by Cox and Pilcher, 1970, Original value = 40.0 ± 2.0 kJ/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -4536.4 ± 1.0 | kJ/mol | Ccr | Good, 1972 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -4536.0 ± 1.0 kJ/mol |
| ΔcH°liquid | -4544.1 ± 2.0 | kJ/mol | Ccr | Mackle and McClean, 1962 | Reanalyzed by Cox and Pilcher, 1970, Original value = -4535.2 ± 2.0 kJ/mol |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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