1,3-Dithiolan-2-one
- Formula: C3H4OS2
- Molecular weight: 120.193
- IUPAC Standard InChI: InChI=1S/C3H4OS2/c4-3-5-1-2-6-3/h1-2H2
- IUPAC Standard InChIKey: ZBEWVJOWXJNDGJ-UHFFFAOYSA-N
- CAS Registry Number: 2080-58-2
- 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: 1,3-Dithiacyclopentane-2-one
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -30.1 ± 1.2 | kcal/mol | Ccb | Rauh and Geiseler, 1973 | Reanalyzed by Cox and Pilcher, 1970, Original value = -30.0 ± 1.2 kcal/mol |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -657.4 ± 1.2 | kcal/mol | Ccb | Rauh and Geiseler, 1973 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 19.2 ± 0.1 | kcal/mol | V | Rauh and Geiseler, 1973 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rauh and Geiseler, 1973
Rauh, V.H.J.; Geiseler, G.,
Bildungsenthalpien und mesomerieenergien von π-bindungssystemen. 6. Mitteilung: Zur stabilität der isotrithione und isodithione,
Z. Phys. Chem. (Leipzig), 1973, 252, 395-397. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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