Thioacetic acid
- Formula: C2H4OS
- Molecular weight: 76.118
- IUPAC Standard InChI: InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
- IUPAC Standard InChIKey: DUYAAUVXQSMXQP-UHFFFAOYSA-N
- CAS Registry Number: 507-09-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Methanecarbothiolic acid; Thioacetic S-acid; Ethanethioic acid; Acetyl mercaptan; Ethanethiolic acid; Thiacetic acid; Thiolacetic acid; Thionoacetic acid; CH3COSH; Kyselina thiooctova; UN 2436; USAF EK-P-737; Acetic acid, thio-
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Reaction thermochemistry data
Go To: Top, Gas Chromatography, 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
=
+
By formula: C4H6O2S = C2H2O + C2H4OS
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 22.6 | kcal/mol | Eqk | Blake and Speis, 1974 | gas phase; Heat of formation derived by 77PED/RYL |
+
=
+
By formula: C2H4OS + H2O = C2H4O2 + H2S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -0.64 ± 0.07 | kcal/mol | Cm | Sunner and Wadso, 1957 | liquid phase; Heat of hydrolysis |
+
=
By formula: C2H4OS + C3H6O = C5H10O2S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -6.5 ± 0.2 | kcal/mol | Eqk | Horii, Kawamura, et al., 1972 | liquid phase; solvent: CD3COCD3; NMR |
+
=
By formula: C2H2O + C2H4OS = C4H6O2S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -22.6 | kcal/mol | Eqk | Blake and Speis, 1974 | gas phase |
Gas Chromatography
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-FFAP | 1124. | Huynh-Ba, Matthey-Doret, et al., 2003 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min) |
References
Go To: Top, Reaction thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Blake and Speis, 1974
Blake, P.G.; Speis, A.,
Reactions of keten. Part IV. Kinetics and thermodynamics of the gas-phase reaction: Thioacetic acid + keten = acetic Thioanhydride,
J. Chem. Soc. Perkin Trans. 2, 1974, 1879-1881. [all data]
Sunner and Wadso, 1957
Sunner, S.; Wadso, I.,
The heat of hydrolysis of thiolacetic acid,
Trans. Faraday Soc., 1957, 53, 455-459. [all data]
Horii, Kawamura, et al., 1972
Horii, T.; Kawamura, S.; Tsurugi, J.,
A NMR study of the thioacetic acid-acetone mixture,
Bull. Chem. Soc. Jpn., 1972, 45, 2200-2202. [all data]
Huynh-Ba, Matthey-Doret, et al., 2003
Huynh-Ba, T.; Matthey-Doret, W.; Fay, L.B.; Rhlid, R.B.,
Generation of thiols by biotransformation of cysteine-aldehyde conjugates with Baker's yeast,
J. Agric. Food Chem., 2003, 51, 12, 3629-3635, https://doi.org/10.1021/jf026198j
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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