Sulfurous acid, dimethyl ester
- Formula: C2H6O3S
- Molecular weight: 110.132
- IUPAC Standard InChIKey: BDUPRNVPXOHWIL-UHFFFAOYSA-N
- CAS Registry Number: 616-42-2
- 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: Dimethyl sulfite; Methyl sulfite; Sulphurous acid dimethyl ester; Dimethyl sulphite; (CH3O)2SO; Dimethoxy sulfoxide; Dimethyl ester of sulfurous acid
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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 | -483. ± 2. | kJ/mol | Ccb | Mackle and Steele, 1969 |
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 | -523.3 ± 1.0 | kJ/mol | Ccb | Mackle and Steele, 1969 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1723.2 ± 0.96 | kJ/mol | Ccb | Mackle and Steele, 1969 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1719.5 ± 0.96 kJ/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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 399. ± 2. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 40. ± 2. | kJ/mol | E | Mackle and Steele, 1969 | ALS |
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 |
---|---|---|---|
9.9 | PE | Bock and Solouki, 1974 | LLK |
10.25 | PE | Bock and Solouki, 1974 | Vertical value; LLK |
10.25 | PE | Bock and Solouki, 1972 | 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- 988 |
NIST MS number | 230475 |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mackle and Steele, 1969
Mackle, H.; Steele, W.V.,
Studies in the thermochemistry of organic sulphites and sulphates. Part 1.-Heats of combustion and formation of some dialkyl sulphites and sulphates,
Trans. Faraday Soc., 1969, 65, 2053-2059. [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]
Bock and Solouki, 1974
Bock, H.; Solouki, B.,
Photoelektronenspektren und molekuleigenschaften, XXXV. Sulfoxide X2SO - beispiele fur den nutzen von korrelations - diagrammen bei der diskussion von substituenteneffekten und von geometrischen storungen,
Chem. Ber., 1974, 107, 2299. [all data]
Bock and Solouki, 1972
Bock, H.; Solouki, B.,
The sulfoxide bond,
Angew. Chem. Int. Ed. Engl., 1972, 11, 436. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling 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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