Carbonotrithioic acid, dimethyl ester
- Formula: C3H6S3
- Molecular weight: 138.275
- 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
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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 | 57.7 | kJ/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 | -8.4 ± 4.2 | kJ/mol | Ccb | Geiseler and Rauh, 1972 | Hf_H2SO4.115H2O=-143.885 Kcal/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3836. ± 4.2 | kJ/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° | 66.27 | kJ/mol | V | Geiseler and Rauh, 1972 | Hf_H2SO4.115H2O=-143.885 Kcal/mol; ALS |
ΔvapH° | 66.1 | kJ/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 |
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 | CARL DJERASSI DEPT OF CHEM STANFORD UNIV STANFORD CALIF 94305 |
NIST MS number | 46553 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Janssen, 1960 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 14560 |
Instrument | unknown |
Boiling point | 106/17 mm |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, 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]
Janssen, 1960
Janssen, M.J.,
Rec. trav. chim., 1960, 79, 464. [all data]
Notes
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- 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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