- Formula: C4H10S
- Molecular weight: 90.187
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: LOCHFZBWPCLPAN-UHFFFAOYSA-N
- CAS Registry Number: 513-53-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: sec-Butyl thioalcohol; sec-Butanethiol; sec-Butyl mercaptan; sec-Butyl thiol; Secondary butylmercaptan; 1-Methyl-1-propanethiol; 2-Butyl mercaptan; 2-Mercaptobutane; sec-C4H9SH; 2-Butylthiol; NSC 78417; butane-2-thiol
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Gas phase thermochemistry data
Go To: Top, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°gas||-22.97 ± 0.19||kcal/mol||Ccr||Hubbard, Good, et al., 1958|
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, References, Notes
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
|fH°liquid||-31.30 ± 0.21||kcal/mol||Ccr||Hubbard, Good, et al., 1958||Reanalyzed by Cox and Pilcher, 1970, Original value = -31.10 ± 0.18 kcal/mol; ALS|
|cH°liquid||-830.44 ± 0.17||kcal/mol||Ccr||Hubbard, Good, et al., 1958||Reanalyzed by Cox and Pilcher, 1970, Original value = -830.28 ± 0.15 kcal/mol; ALS|
|S°liquid||64.871||cal/mol*K||N/A||McCullough, Finke, et al., 1958||DH|
Constant pressure heat capacity of liquid
|Cp,liquid (cal/mol*K)||Temperature (K)||Reference||Comment|
|40.92||298.15||McCullough, Finke, et al., 1958||T = 12 to 309 K.; DH|
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Hubbard, Good, et al., 1958
Hubbard, W.N.; Good, W.D.; Waddington, G., The heats of combustion, formation and isomerization of the seven isomeric C4H10S alkane thiols and sulfides, J. Phys. Chem., 1958, 62, 614-617. [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]
McCullough, Finke, et al., 1958
McCullough, J.P.; Finke, H.L.; Scott, D.W.; Pennington, R.E.; Gross, M.E.; Messerly, J.F.; Waddington, G., 2-Butanethiol: chemical thermodynamic properties between 0 and 1000K., rotational conformations, J. Am. Chem. Soc., 1958, 80, 4786-4793. [all data]
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions cH°liquid Enthalpy of combustion of liquid at standard conditions fH°gas Enthalpy of formation of gas at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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