Methanesulfonylacetonitrile
- Formula: C3H5NO2S
- Molecular weight: 119.142
- IUPAC Standard InChI: InChI=1S/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H3
- IUPAC Standard InChIKey: FOTRKCAZUSJCQD-UHFFFAOYSA-N
- CAS Registry Number: 2274-42-2
- 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: Methylsulfonylacetonitrile; Acetonitrile, (methylsulfonyl)-; mesylacetonitrile
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Gas phase ion energetics data
Go To: Top, 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: John E. Bartmess
De-protonation reactions
C3H4NO2S- + =
By formula: C3H4NO2S- + H+ = C3H5NO2S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1407. ± 9.6 | kJ/mol | G+TS | Taft, Abboud, et al., 1988 | gas phase; Revised: this is 0.9 smaller than reported (91TAF) |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1375. ± 8.4 | kJ/mol | IMRE | Taft, Abboud, et al., 1988 | gas phase; Revised: this is 0.9 smaller than reported (91TAF) |
References
Go To: Top, 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.
Taft, Abboud, et al., 1988
Taft, R.W.; Abboud, J.L.M.; Anvia, F.; Berthelot, M.; Fujio, M.; Gal, J.-F.; Headley, A.D.; Henderson, W.G.,
Regarding the Inherent Dependence of Resonance Effects of Strongly Conjugated Substituents on Electron Demand,
J. Am. Chem. Soc., 1988, 110, 6, 1797, https://doi.org/10.1021/ja00214a023
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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