Ethane, 1,1'-[methylenebis(thio)]bis-
- Formula: C5H12S2
- Molecular weight: 136.279
- IUPAC Standard InChI: InChI=1S/C5H12S2/c1-3-6-5-7-4-2/h3-5H2,1-2H3
- IUPAC Standard InChIKey: RJQVVQDWHKZIHU-UHFFFAOYSA-N
- CAS Registry Number: 4396-19-4
- 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: Methane, bis(ethylthio)-; Bis(ethylthio)methane; Di(ethylthio)methane; Formaldehyde diethyl mercaptal; 3,5-Dithiaheptane; C2H5SCH2SC2H5; 1,1-bis(Ethylthio)methane
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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 | -15.58 ± 0.36 | kcal/mol | Ccr | Mansson, 1974 |
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 | -27.72 ± 0.36 | kcal/mol | Ccr | Mansson, 1974 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1140.18 ± 0.26 | kcal/mol | Ccr | Mansson, 1974 |
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 12.1 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
| ΔvapH° | 12.14 ± 0.038 | kcal/mol | C | Mansson, 1974 | ALS |
| ΔvapH° | 12.1 | kcal/mol | N/A | Mansson, 1974 | DRB |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apiezon M | 130. | 1054. | Garbuzov, Misharina, et al., 1985 | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | Apiezon M | 1055. | Golovnya, Misharina, et al., 1983 | N2, Chromosorb W AW/DMCS; Column length: 5.6 m; Program: 60C(7min), 100C(7min), 150C isothermal |
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.
Mansson, 1974
Mansson, M.,
Non-bonded sulphur-sulphur interactions in 3,5-dithiaheptane and 3,6-dithiaoctane,
J. Chem. Thermodyn., 1974, 6, 1153-1159. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V.,
Gas chromatographic retention indices for sulphur(II)-containing organic substances,
J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]
Golovnya, Misharina, et al., 1983
Golovnya, R.V.; Misharina, T.A.; Garbuzov, V.G.; Medvedyev, F.A.,
Volatile sulfur containing compounds in simulated meat flavour and their comparison with the constituents of natural aroma,
Nahrung, 1983, 27, 3, 237-249, https://doi.org/10.1002/food.19830270314
. [all data]
Notes
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- Symbols used in this document:
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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