1,3-Dithiolane-2-thione
- Formula: C3H4S3
- Molecular weight: 136.259
- IUPAC Standard InChIKey: XCWPBWWTGHQKDR-UHFFFAOYSA-N
- CAS Registry Number: 822-38-8
- 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: Carbonic acid, trithio-, cyclic ethylene ester; Cyclic ethylene trithiocarbonate; Ethylene trithiocarbonate; Trithiocarbonic acid, cyclic ethylene ester; 1,3-Dithiolan-2-thione; 1,3-Dithiacyclopentane-2-thione; Cylic ethylene trithiocarbonate
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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 | 22.41 ± 0.48 | kcal/mol | Ccr | Geiseler, Schaffernicht, et al., 1967 | Reanalyzed by Cox and Pilcher, 1970, Original value = 22.53 kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -853.5 ± 0.4 | kcal/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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 19.8 | kcal/mol | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 294. to 303. K.; AC |
ΔvapH° | 19.6 ± 0.2 | kcal/mol | V | Geiseler, Schaffernicht, et al., 1967 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 19.6 ± 0.2 | kcal/mol | N/A | Geiseler, Schaffernicht, et al., 1967 | Based on data from 294. to 303. K. See also Cox and Pilcher, 1970, 2.; AC |
Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.40 | PE | Guimon and Pfister-Guillouzo, 1975 | Vertical value; LLK |
8.40 | PE | Guimon, Gonbeau, et al., 1974 | Vertical value; LLK |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-4620 |
NIST MS number | 230283 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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]
Guimon and Pfister-Guillouzo, 1975
Guimon, C.; Pfister-Guillouzo, G.,
Electronic structure of sulfur compounds XVI. Photoelectron spectra of ethylene trithiocarbonate ethylene dithiocarbonate,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 191. [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
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- 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 at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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