Ethanethioic acid S-tert-butyl ester
- Formula: C6H12OS
- Molecular weight: 132.224
- IUPAC Standard InChI: InChI=1S/C6H12OS/c1-5(7)8-6(2,3)4/h1-4H3
- IUPAC Standard InChIKey: PJFHXBBYLAVSLJ-UHFFFAOYSA-N
- CAS Registry Number: 999-90-6
- 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. - Species with the same structure:
- Other names: CH3C(O)SC(CH3)3; S-tert-Butyl thioacetate; t-Butyl thiolacetate
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- Other data available:
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Phase change data
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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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 |
|---|---|---|---|---|---|
| Tboil | 405. | K | N/A | Dunbar and Bolstad, 1955 | Uncertainty assigned by TRC = 4. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 10.3 ± 0.05 | kcal/mol | C | Wadsö, Murto, et al., 1966 | AC |
| ΔvapH° | 10.26 ± 0.05 | kcal/mol | C | Wadso, 1966 | ALS |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dunbar and Bolstad, 1955
Dunbar, R.E.; Bolstad, A.N.,
The Acetylation of Mercaptans with Ketene,
J. Am. Chem. Soc., 1955, 77, 4672. [all data]
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]
Notes
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- Symbols used in this document:
Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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