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 |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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: John E. Bartmess
Protonation 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, 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.
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, 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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