NCCH2CH2 anion
- Formula: C3H4N-
- Molecular weight: 54.0711
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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
C3H4N- + =
By formula: C3H4N- + H+ = C3H5N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 392.0 ± 5.1 | kcal/mol | G+TS | Merrill, Dahlke, et al., 1996 | gas phase; comparable to H2O. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 384.0 ± 5.0 | kcal/mol | IMRB | Merrill, Dahlke, et al., 1996 | gas phase; comparable to H2O. |
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
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.96 ± 0.24 | D-EA | Merrill, Dahlke, et al., 1996 | comparable to H2O. |
Protonation reactions
C3H4N- + =
By formula: C3H4N- + H+ = C3H5N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 392.0 ± 5.1 | kcal/mol | G+TS | Merrill, Dahlke, et al., 1996 | gas phase; comparable to H2O. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 384.0 ± 5.0 | kcal/mol | IMRB | Merrill, Dahlke, et al., 1996 | gas phase; comparable to H2O. |
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.
Merrill, Dahlke, et al., 1996
Merrill, G.N.; Dahlke, G.D.; Kass, S.R.,
beta-Cyanoethyl Anion: Lusus Naturae,
J. Am. Chem. Soc., 1996, 118, 18, 4462, https://doi.org/10.1021/ja953796o
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species 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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