Thioacetaldehyde
- Formula: C2H4S
- Molecular weight: 60.118
- IUPAC Standard InChIKey: QJFUMFCCMJJLIE-UHFFFAOYSA-N
- CAS Registry Number: 6851-93-0
- Chemical structure:
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 12. ± 2. | kcal/mol | Ion | Butler and Baer, 1983 |
Reaction thermochemistry 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 by: John E. Bartmess
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
C2H3S- + =
By formula: C2H3S- + H+ = C2H4S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 347.8 ± 3.4 | kcal/mol | G+TS | Zhang and Grabowski, 1989 | gas phase; Between MeCO2H, EtCO2H (Acid = MeCH=S) |
ΔrH° | 349.1 ± 4.1 | kcal/mol | G+TS | Guillemin, Riague, et al., 2005 | gas phase; Acid: CH3CH=S |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 341.0 ± 3.0 | kcal/mol | IMRB | Zhang and Grabowski, 1989 | gas phase; Between MeCO2H, EtCO2H (Acid = MeCH=S) |
ΔrG° | 342.3 ± 3.8 | kcal/mol | IMRB | Guillemin, Riague, et al., 2005 | gas phase; Acid: CH3CH=S |
(CAS Reg. No. 20733-13-5 • 4294967295) + = CAS Reg. No. 20733-13-5
By formula: (CAS Reg. No. 20733-13-5 • 4294967295C2H4S) + C2H4S = CAS Reg. No. 20733-13-5
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.3 ± 3.0 | kcal/mol | N/A | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
References
Go To: Top, Gas phase thermochemistry 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.
Butler and Baer, 1983
Butler, J.J.; Baer, T.,
A photo-ionization study of organosulfur ring compounds: Thiirane, thietane and tetrahydrothiophene,
Org. Mass Spectrom., 1983, 18, 248-253. [all data]
Zhang and Grabowski, 1989
Zhang, L.; Grabowski, J.J.,
The Gas-Phase Basicity and H/D Exchange Characteristics of the Parent Thiocarbonyl Enolate Anions, J. Chem. Soc. Chem. Comm. 1819, 1989. [all data]
Guillemin, Riague, et al., 2005
Guillemin, J.C.; Riague, E.H.; Gal, J.F.; Maria, P.C.; Mo, O.; Yanez, M.,
Acidity trends in alpha,beta-unsaturated sulfur, selenium, and tellurium derivatives: Comparison with C-, Si-, Ge-, Sn-, N-, P-, As-, and Sb-containing analogues,
Chem. Eur. J., 2005, 11, 7, 2145-2153, https://doi.org/10.1002/chem.200400989
. [all data]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions 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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