MeCH=CHNH anion
- Formula: C3H6N-
- Molecular weight: 56.0870
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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
C3H6N- + = C3H7N
By formula: C3H6N- + H+ = C3H7N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 380.7 ± 4.2 | kcal/mol | G+TS | Dahlke and Kass, 1991 | gas phase; From CH2=CHCH2NH2 + HO-. Between MeOH, EtOH in acidity. Reprotonation structure uncertain.Acid take as EtCH=NH for this acidity. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 372.5 ± 4.0 | kcal/mol | IMRB | Dahlke and Kass, 1991 | gas phase; From CH2=CHCH2NH2 + HO-. Between MeOH, EtOH in acidity. Reprotonation structure uncertain.Acid take as EtCH=NH for this acidity. |
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
C3H6N- + = C3H7N
By formula: C3H6N- + H+ = C3H7N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 380.7 ± 4.2 | kcal/mol | G+TS | Dahlke and Kass, 1991 | gas phase; From CH2=CHCH2NH2 + HO-. Between MeOH, EtOH in acidity. Reprotonation structure uncertain.Acid take as EtCH=NH for this acidity. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 372.5 ± 4.0 | kcal/mol | IMRB | Dahlke and Kass, 1991 | gas phase; From CH2=CHCH2NH2 + HO-. Between MeOH, EtOH in acidity. Reprotonation structure uncertain.Acid take as EtCH=NH for this acidity. |
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.
Dahlke and Kass, 1991
Dahlke, G.D.; Kass, S.R.,
Substituent Effects in the Gas Phase - 1-Substituted Allyl Anions,
J. Am. Chem. Soc., 1991, 113, 15, 5566, https://doi.org/10.1021/ja00015a008
. [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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