Carbonotrithioic acid, dimethyl ester
- Formula: C3H6S3
- Molecular weight: 138.275
- IUPAC Standard InChI: InChI=1S/C3H6S3/c1-5-3(4)6-2/h1-2H3
- IUPAC Standard InChIKey: IQWMXKTYXNMSLC-UHFFFAOYSA-N
- CAS Registry Number: 2314-48-9
- 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-, dimethyl ester; Dimethyl trithiocarbonate; (CH3S)2CS; Dimethylester kyseliny trithiouhlicite; Trithiocarbonic acid dimethyl ester; Dimethyl carbonotrithioate
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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 | 13.8 | kcal/mol | Ccb | Geiseler and Rauh, 1972 | Hf_H2SO4.115H2O=-143.885 Kcal/mol |
Condensed 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°liquid | -2.0 ± 1.0 | kcal/mol | Ccb | Geiseler and Rauh, 1972 | Hf_H2SO4.115H2O=-143.885 Kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -916.8 ± 1.0 | kcal/mol | Ccb | Geiseler and Rauh, 1972 | Hf_H2SO4.115H2O=-143.885 Kcal/mol |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 266.9 | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 0.6 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 15.84 | kcal/mol | V | Geiseler and Rauh, 1972 | Hf_H2SO4.115H2O=-143.885 Kcal/mol; ALS |
| ΔvapH° | 15.8 | kcal/mol | N/A | Geiseler and Rauh, 1972 | DRB |
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 |
|---|---|---|---|
| 7.9 | PE | Guimon, Gonbeau, et al., 1974 | LLK |
| 8.5 | PE | Guimon, Gonbeau, et al., 1974 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 and Rauh, 1972
Geiseler, G.; Rauh, H.-J.,
Bildungsenthalpien und Mesomerieenergien von π-Bindungssystemen 3. Mitteilung: Bildungsenthalpie und Verdrillung der S-S-Bindung in Trithionen,
Z. Phys. Chem. (Leipzig), 1972, 249, 376-382. [all data]
Timmermans, 1922
Timmermans, J.,
Investigation of the Freezing Point of Organic Substances VII,
Bull. Soc. Chim. Belg., 1922, 31, 389. [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, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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