1,3-Dithiane-2-thione
- Formula: C4H6S3
- Molecular weight: 150.285
- IUPAC Standard InChI: InChI=1S/C4H6S3/c5-4-6-2-1-3-7-4/h1-3H2
- IUPAC Standard InChIKey: BVNLWJVULAZODX-UHFFFAOYSA-N
- CAS Registry Number: 1748-15-8
- 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-Dithian-2-thione; m-Dithiane-2-thione; Carbonic acid, trithio-, cyclic trimethylene ester; Trimethylene trithiocarbonate; 1,3-Dithiacyclohexane-2-thione; 1,3-Propanedithiol, cyclic carbonotrithioate; 1,3-Propanedithiol, cyclic trithioacrbonate
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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 | 77.5 ± 2.7 | kJ/mol | Ccr | Geiseler, Schaffernicht, et al., 1967 | Reanalyzed by Cox and Pilcher, 1970, Original value = 78.07 kJ/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -4224.6 ± 0.4 | kJ/mol | Ccr | Geiseler, Schaffernicht, et al., 1967 |
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 91. ± 3. | kJ/mol | V | Geiseler, Schaffernicht, et al., 1967 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 91.4 ± 2.5 | kJ/mol | N/A | Geiseler, Schaffernicht, et al., 1967 | See also Cox and Pilcher, 1970, 2.; AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 88.6 | 335. | Geiseler, Schaffernicht, et al., 1967 | Based on data from 321. to 348. K.; AC |
References
Go To: Top, Gas 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.
Geiseler, Schaffernicht, et al., 1967
Geiseler, V.G.; Schaffernicht, H.; Walther, H.J.,
Bildungsenthalpien und Mesomerieenergien von π-Bindungssystemen,
Ber. Bunsen-Ges. Phys. Chem., 1967, 71, 196-199. [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]
Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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