- Formula: C4H10S
- Molecular weight: 90.187
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: WMXCDAVJEZZYLT-UHFFFAOYSA-N
- CAS Registry Number: 75-66-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: tert-Butanethiol; tert-Butylmercaptan; tert-Butylthiol; 1,1-Dimethylethanethiol; 2-Isobutanethiol; 2-Methyl-2-propanethiol; tert-C4H9SH; t-Butyl mercaptan; tert-Butyl hydrosulfide; 2-Methyl-2-propylthiol; tertiary-Butyl mercaptan; 2-methylpropane-2-thiol
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Reaction thermochemistry data
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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°||352.5 ± 2.2||kcal/mol||G+TS||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale; B|
|rG°||346.2 ± 2.0||kcal/mol||IMRE||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale; B|
+ = +
By formula: H2O + C6H12OS = C2H4O2 + C4H10S
|rH°||-3.00 ± 0.07||kcal/mol||Cm||Wadso, 1957||liquid phase; Heat of hydrolysis; ALS|
Go To: Top, Reaction thermochemistry data, Notes
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [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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