Propane, 2-[(1,1-dimethylethyl)sulfonyl]-2-methyl-
- Formula: C8H18O2S
- Molecular weight: 178.292
- IUPAC Standard InChIKey: SPJQDMKTFSPPLO-UHFFFAOYSA-N
- CAS Registry Number: 1886-75-5
- 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: Di-tert-Butyl sulfone; tert-Butyl Sulfone; Di-tert-butyl sulphone; 2-((1,1-Dimethylethyl)-sulphonyl)-2-methylpropane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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 | -130.56 ± 0.59 | kcal/mol | Ccb | Mackle and O'Hare, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -130.3 ± 0.6 kcal/mol; Hfusion=2.9±0.4 kcal/mol, Heat of comb. corrected for constant pressure |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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°solid | -153.06 ± 0.55 | kcal/mol | Ccb | Mackle and O'Hare, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -152.8 ± 0.2 kcal/mol; Hfusion=2.9±0.4 kcal/mol, Heat of comb. corrected for constant pressure |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1358.14 ± 0.53 | kcal/mol | Ccb | Mackle and O'Hare, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1358.3 ± 0.1 kcal/mol; Hfusion=2.9±0.4 kcal/mol, Heat of comb. corrected for constant pressure |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 521. | K | N/A | Mackle and O'Hare, 1961 | Uncertainty assigned by TRC = 3. K |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 403. | K | N/A | Dyer, Harris, et al., 1982 | Uncertainty assigned by TRC = 3. K |
Tfus | 403. | K | N/A | Mackle and O'Hare, 1961 | Uncertainty assigned by TRC = 2. K |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mackle and O'Hare, 1961
Mackle, H.; O'Hare, P.A.G.,
Studies in the thermochemistry of sulphones. Part 5.-Heats of combustion, formation, fusion, vaporization and atomization of eleven aliphatic sulphones,
Trans. Faraday Soc., 1961, 57, 1070-1074. [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]
Dyer, Harris, et al., 1982
Dyer, J.C.; Harris, D.L.; Evans, S.A.,
Oxygen-17 Nulcear Magnetic RFesonacne SPtroscopy of Sulfoxides and Sulfones. Alkyl Substituent Induced Chemical Shifts,
J. Org. Chem., 1982, 47, 3660-4. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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