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
Go To: Top, Gas phase ion energetics 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 | 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 |
Gas phase ion energetics data
Go To: Top, Gas 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.2 | PE | Guimon, Gonbeau, et al., 1974 | LLK |
| 8.40 | PE | Guimon, Gonbeau, et al., 1974 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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]
Guimon, Gonbeau, et al., 1974
Guimon, C.; Gonbeau, D.; Pfister-Guillouzo, G.; Asbrink, L.; Sandstrom, J.,
Electronic structure of sulphur compounds. VI. Photoelectron spectra of some simple thiocarbonyl compounds,
J. Electron Spectrosc. Relat. Phenom., 1974, 4, 49. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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