2,5-Dihydro-3-methyl-thiophene 1,1-dioxide
- Formula: C5H8O2S
- Molecular weight: 132.181
- IUPAC Standard InChI: InChI=1S/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3
- IUPAC Standard InChIKey: FAYFWMOSHFCQPG-UHFFFAOYSA-N
- CAS Registry Number: 1193-10-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 3-Methylsulfolene; Thiophene, 2,5-dihydro-3-methyl-, 1,1-dioxide; 1,3-Butadiene, 2-methyl-, sulfone; 3-Methyl-2,5-dihydrothiophene dioxide; 3-Methyl-2,5-dihydrothiophene 1,1-dioxide; 3-Methyl-3-sulfolene; 2,5-Dihydrothiophene, 1,1-dioxide, 3-methyl-; NSC 15090
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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 | -69.70 ± 0.52 | kcal/mol | Ccr | Mackle and McNally, 1969 | Authors reported energy of Combustion=-800.93 kcal/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°solid | -85.00 ± 0.52 | kcal/mol | Ccr | Mackle and McNally, 1969 | Authors reported energy of Combustion=-800.93 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -802.43 ± 0.49 | kcal/mol | Ccr | Mackle and McNally, 1969 | Authors reported energy of Combustion=-800.93 kcal/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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 15.3 | kcal/mol | V | Mackle and McNally, 1969 | Authors reported energy of Combustion=-800.93 kcal/mol |
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, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.84 | PE | Kuhn, Klessinger, et al., 1987 | Vertical value |
Mass spectrum (electron ionization)
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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
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 | Albert Lebedev, Moscow State University, Russia |
| NIST MS number | 305594 |
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 McNally, 1969
Mackle, H.; McNally, D.V.,
Studies in the thermochemistry of sulphones. Part 9 - Thermochemistry of the butadiene and isoprene sulphones,
Trans. Faraday Soc., 1969, 65, 1738-1741. [all data]
Kuhn, Klessinger, et al., 1987
Kuhn, H.J.; Klessinger, M.; Ruscic, B.; Klasinc, L.,
On the empirical correlation schemes for ionization energies in ring compounds,
Int. J. Mass Spectrom. Ion Phys., 1987, 43, 147. [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:
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 ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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