Ethanethioic acid, S-butyl ester
- Formula: C6H12OS
- Molecular weight: 132.224
- IUPAC Standard InChI: InChI=1S/C6H12OS/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
- IUPAC Standard InChIKey: XBHDWERUSGIZNS-UHFFFAOYSA-N
- CAS Registry Number: 928-47-2
- 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: Acetic acid, thio-, S-butyl ester; S-Butyl thioacetate; CH3C(O)S(CH2)3CH3; S-n-Butylthioacetate; Butyl thioacetate; Butyl thiolacetate
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Phase change data
Go To: Top, Reaction 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 11.5 ± 0.05 | kcal/mol | C | Wadsö, Murto, et al., 1966 | AC |
| ΔvapH° | 11.49 ± 0.05 | kcal/mol | C | Wadso, 1966 | ALS |
Reaction thermochemistry data
Go To: Top, Phase change 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
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Individual Reactions
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By formula: C4H11N + C6H12OS = C4H10S + C6H13NO
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -13.80 ± 0.15 | kcal/mol | Cm | Wadso, 1958 | liquid phase; Heat of aminolysis |
+
=
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By formula: H2O + C6H12OS = C4H10S + C2H4O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -1.09 ± 0.06 | kcal/mol | Cm | Wadso, 1957 | liquid phase; Heat of hydrolysis |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wadsö, Murto, et al., 1966
Wadsö, Ingemar; Murto, Maija-Leena; Bergson, Göran; Ehrenberg, L.; Brunvoll, J.; Bunnenberg, E.; Djerassi, Carl; Records, Ruth,
Heats of Vaporization for a Number of Organic Compounds at 25 degrees C.,
Acta Chem. Scand., 1966, 20, 544-552, https://doi.org/10.3891/acta.chem.scand.20-0544
. [all data]
Wadso, 1966
Wadso, I.,
Acta Chem. Scand., 1966, 20, 544. [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, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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