CH2=CCN anion
- Formula: C3H2N-
- Molecular weight: 52.0552
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Reaction 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: John E. Bartmess
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Individual Reactions
C3H2N- + =
By formula: C3H2N- + H+ = C3H3N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1553. ± 9.2 | kJ/mol | G+TS | Bartmess, 1980 | gas phase; value altered from reference due to change in acidity scale |
| ΔrH° | 1524. ± 19. | kJ/mol | EIAE | Heni and Illenberger, 1986 | gas phase; From CH2=CHCN. G3MP2B3 calculations indicate a dHacdi ca. 374 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1528. ± 8.4 | kJ/mol | IMRE | Bartmess, 1980 | gas phase; value altered from reference due to change in acidity scale |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bartmess, 1980
Bartmess, J.E.,
Solvent effects on ion-molecule reactions. Vinyl anions vs. conjugate addition,
J. Am. Chem. Soc., 1980, 102, 2483. [all data]
Heni and Illenberger, 1986
Heni, M.; Illenberger, E.,
Electron attachment by saturated nitriles. Acrylonitrile (CH2H3CN), and benzonitrile (C6H5CN),
Int. J. Mass Spectrom. Ion Phys., 1986, 73, 127. [all data]
Notes
Go To: Top, Reaction thermochemistry 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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