- Formula: C4H10S
- Molecular weight: 90.187
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: WQAQPCDUOCURKW-UHFFFAOYSA-N
- CAS Registry Number: 109-79-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: n-Butanethiol; n-Butyl mercaptan; n-Butyl thioalcohol; Butanethiol; Butyl mercaptan; Thiobutyl alcohol; 1-Butyl mercaptan; n-C4H9SH; NCI-C60866; Butylthiol; n-Butylthiol; 1-Mercaptobutane; 1-butylthiol; butane-1-thiol
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Reaction thermochemistry data
Go To: Top, 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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C4H9S- + =
By formula: C4H9S- + H+ = C4H10S
|rH°||1480. ± 9.2||kJ/mol||G+TS||Taft and Bordwell, 1988||gas phase; B|
|rG°||1454. ± 8.4||kJ/mol||IMRE||Taft and Bordwell, 1988||gas phase; B|
+ = +
By formula: C4H11N + C6H12OS = C4H10S + C6H13NO
|rH°||-57.74 ± 0.63||kJ/mol||Cm||Wadso, 1958||liquid phase; Heat of aminolysis; ALS|
+ = +
By formula: H2O + C6H12OS = C4H10S + C2H4O2
|rH°||-4.6 ± 0.3||kJ/mol||Cm||Wadso, 1957||liquid phase; Heat of hydrolysis; ALS|
Go To: Top, Reaction thermochemistry data, Notes
Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G., Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase, Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005 . [all data]
Wadso, I., The heats of aminolysis of n-butyl thiolacetate and acetic anhydride, Acta Chem. Scand., 1958, 12, 635-640. [all data]
Wadso, I., The heats of hydrolysis of some alkyl thiolesters, Acta Chem. Scand., 1957, 11, 1745-1751. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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