1-Butanethiol
- Formula: C4H10S
- Molecular weight: 90.187
- IUPAC Standard InChI: InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
- 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
The 3d structure may be viewed using Java or Javascript. - 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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Individual Reactions
C4H9S- + =
By formula: C4H9S- + H+ = C4H10S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1480. ± 9.2 | kJ/mol | G+TS | Taft and Bordwell, 1988 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1454. ± 8.4 | kJ/mol | IMRE | Taft and Bordwell, 1988 | gas phase; B |
+
=
+
By formula: C4H11N + C6H12OS = C4H10S + C6H13NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -57.74 ± 0.63 | kJ/mol | Cm | Wadso, 1958 | liquid phase; Heat of aminolysis; ALS |
+
=
+
By formula: H2O + C6H12OS = C4H10S + C2H4O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -4.6 ± 0.3 | kJ/mol | Cm | Wadso, 1957 | liquid phase; Heat of hydrolysis; ALS |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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, 1958
Wadso, I.,
The heats of aminolysis of n-butyl thiolacetate and acetic anhydride,
Acta Chem. Scand., 1958, 12, 635-640. [all data]
Wadso, 1957
Wadso, I.,
The heats of hydrolysis of some alkyl thiolesters,
Acta Chem. Scand., 1957, 11, 1745-1751. [all data]
Notes
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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