Diethyl sulfone
- Formula: C4H10O2S
- Molecular weight: 122.186
- IUPAC Standard InChIKey: MBDUIEKYVPVZJH-UHFFFAOYSA-N
- CAS Registry Number: 597-35-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Ethane, 1,1'-sulfonylbis-; Ethyl sulfone; Diethyl sulphone; 1,1'-Sulphonylbisethane; (C2H5)2SO2
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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 | -429.3 ± 2.6 | kJ/mol | Ccb | Mackle and O'Hare, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -428. ± 3. kJ/mol; Hfusion=3.4±0.4 kcal/mol,Heat of comb. corrected for constant pressure |
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°solid | -515.51 ± 0.67 | kJ/mol | Ccb | Mackle and O'Hare, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -513.8 ± 0.8 kJ/mol; Hfusion=3.4±0.4 kcal/mol,Heat of comb. corrected for constant pressure |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -3090.0 ± 0.42 | kJ/mol | Ccb | Mackle and O'Hare, 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3091.3 ± 0.42 kJ/mol; Hfusion=3.4±0.4 kcal/mol,Heat of comb. corrected for constant pressure |
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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 345. | K | N/A | Dyer, Harris, et al., 1982 | Uncertainty assigned by TRC = 2. K |
Tfus | 347. | K | N/A | Boehme and Sitorus, 1972 | Uncertainty assigned by TRC = 2. K |
Tfus | 346.7 | K | N/A | Hall and Robinson, 1964 | Uncertainty assigned by TRC = 1.5 K |
Tfus | 345.2 | K | N/A | Mackle and O'Hare, 1961 | Uncertainty assigned by TRC = 1. K |
Tfus | 342.2 | K | N/A | Mcallan, Cullum, et al., 1951 | Uncertainty assigned by TRC = 0.5 K |
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 |
---|---|---|---|
9.96 ± 0.03 | PI | Evlasheva, Puchkova, et al., 1975 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, 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: 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-IW- 941 |
NIST MS number | 239660 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]
Boehme and Sitorus, 1972
Boehme, V.H.; Sitorus, U.,
Oxidation of Thioethers to Sulfones with Hydrogen Peroxide in Alkaline Solution,
Chem.-Ztg., 1972, 96, 37-8. [all data]
Hall and Robinson, 1964
Hall, S.K.; Robinson, E.A.,
The Sulphuric Acid Solvent System. Part VI. The Basicities of Compounds Containing Sulphur-Oxyten Bonds,
Can. J. Chem., 1964, 42, 1113-22. [all data]
Mcallan, Cullum, et al., 1951
Mcallan, D.T.; Cullum, T.V.; Dean, R.A.; Fidler, F.A.,
The Preparation and Properties of Sulfur Compounds Related to Petroleum I. The Dialkyl Sulfides and Disulfides,
J. Am. Chem. Soc., 1951, 73, 3627-32. [all data]
Evlasheva, Puchkova, et al., 1975
Evlasheva, T.I.; Puchkova, V.V.; Potapov, V.K.; Gur'yanova, E.N.,
Ionisation potentials and electron-donating properties of sulphones,
Russ. J. Phys. Chem., 1975, 49, 453. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
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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