Disulfide, dibutyl
- Formula: C8H18S2
- Molecular weight: 178.359
- IUPAC Standard InChI: InChI=1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3
- IUPAC Standard InChIKey: CUDSBWGCGSUXDB-UHFFFAOYSA-N
- CAS Registry Number: 629-45-8
- 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: Butyl disulfide; Di-n-butyl disulfide; Dibutyl disulfide; Dibutyl disulphide; (n-C4H9S)2; n-Butyl disulfide; 5,6-Dithiadecane; NSC 36626
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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 | -158.4 ± 2.6 | kJ/mol | Ccb | Mackle and McClean, 1964 | Reanalyzed by Cox and Pilcher, 1970, Original value = -157. ± 3. kJ/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 | -222.9 ± 2.0 | kJ/mol | Ccb | Mackle and McClean, 1964 | Reanalyzed by Cox and Pilcher, 1970, Original value = -222.0 ± 1.9 kJ/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -6702.3 ± 1.8 | kJ/mol | Ccb | Mackle and McClean, 1964 | Reanalyzed by Cox and Pilcher, 1970, Original value = -6695.0 ± 1.8 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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 504.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 63. ± 2. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
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 |
|---|---|---|---|
| 8.51 | PE | Guimon, Guimon, et al., 1975 | 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.
Mackle and McClean, 1964
Mackle, H.; McClean, R.T.B.,
Studies in the thermochemistry of organic sulphides. Part 5.-Dithia-alkanes,
Trans. Faraday Soc., 1964, 60, 669-672. [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]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Guimon, Guimon, et al., 1975
Guimon, M.-F.; Guimon, C.; Pfister-Guillouzo, G.,
Application of photoelectron spectroscopy to conformational analysis of 1,2,4-trithiolanes,
Tetrahedron Lett., 1975, 7, 441. [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:
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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