Divinyl sulphone
- Formula: C4H6O2S
- Molecular weight: 118.154
- IUPAC Standard InChIKey: AFOSIXZFDONLBT-UHFFFAOYSA-N
- CAS Registry Number: 77-77-0
- 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: 1,1'-Sulphonylbisethene; (CH2=CH)2SO2; Divinyl sulfone; Vinyl sulfone; Ethene, 1,1'-sulfonylbis-; Bis(ethenyl)sulfone; Sulfone, divinyl-; TL 797
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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 | -37.4 ± 1.2 | kcal/mol | Ccb | Voronkov, Klyuchnikov, et al., 1989 | |
ΔfH°gas | -36.0 ± 0.9 | kcal/mol | Ccr | Mackle, McNally, et al., 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 | -50.9 ± 1.1 | kcal/mol | Ccb | Voronkov, Klyuchnikov, et al., 1989 | |
ΔfH°liquid | -49.50 ± 0.90 | kcal/mol | Ccr | Mackle, McNally, et al., 1969 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -675.55 ± 0.83 | kcal/mol | Ccr | Mackle, McNally, et al., 1969 |
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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔvapH° | 13.5 ± 0.2 | kcal/mol | C | Voronkov, Klyuchnikov, et al., 1989, 2 | AC |
ΔvapH° | 13.5 ± 0.2 | kcal/mol | C | Voronkov, Klyuchnikov, et al., 1989 | ALS |
ΔvapH° | 13.5 ± 0.2 | kcal/mol | N/A | Mackle, McNally, et al., 1969, 2 | AC |
ΔvapH° | 13.5 ± 0.2 | kcal/mol | V | Mackle, McNally, et al., 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.56 | PE | Solouki, Bock, et al., 1975 | Vertical value |
10.62 | PE | Muller and Schweig, 1973 | Vertical value |
IR Spectrum
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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
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | NIST Mass Spectrometry Data Center |
NIST MS number | 341369 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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.
Voronkov, Klyuchnikov, et al., 1989
Voronkov, M.G.; Klyuchnikov, V.A.; Kolabin, S.N.; Shvets, G.N.; Varusin, P.I.; Deryagina, E.N.; Korchevin, N.A.; Tsvetnitskaya, S.I.,
Thermochemical properties of diorganyl chalcogenides and dichalcogenides RMnR(M = S, Se, Te; n = 1, 2).,
Dokl. Phys. Chem. (Engl. Transl.), 1989, 307, 650-653, In original 1139. [all data]
Mackle, McNally, et al., 1969
Mackle, H.; McNally, D.V.; Steele, W.V.,
Studies in the thermochemistry of sulphones. Part 10. Heats of combustion and formation of several αβ-unsaturated sulphones,
Trans. Faraday Soc., 1969, 65, 2060-2068. [all data]
Voronkov, Klyuchnikov, et al., 1989, 2
Voronkov, M.G.; Klyuchnikov, V.A.; Kolabin, S.N.; Shvets, G.N.; Varushin, P.I.; Deryagina, E.N.; Korchevin, N.A.; Tsvetnitskaya, S.I.,
Thermochemical properties of dialkyl chalcogenides and dichalcogenides RMnR (M = sulfur, selenium, tellurium; n = 1, 2),
Dokl. Akad. Nauk SSSR, Phys. Chem., 1989, 307, 5, 1139. [all data]
Mackle, McNally, et al., 1969, 2
Mackle, H.; McNally, D.V.; Steele, W.V.,
Studies in the thermochemistry of sulphones. Part 10.?Heats of combustion and formation of several ??-unsaturated sulphones,
Trans. Faraday Soc., 1969, 65, 2060, https://doi.org/10.1039/tf9696502060
. [all data]
Solouki, Bock, et al., 1975
Solouki, B.; Bock, H.; Appel, R.,
Photoelektronenspektren und Molekuleigenschaften, XLV Schwefelsaure-Derivate X2SY2: Alkyl-, Vinyl- und Arylsulfone, Alkylsulfoimide und Sulfurylhalogenide,
Chem. Ber., 1975, 108, 897. [all data]
Muller and Schweig, 1973
Muller, C.; Schweig, A.,
Konjugation in Sulfonen,
Tetrahedron, 1973, 29, 3973. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- 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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