CH2=CHCHCl anion
- Formula: C3H4Cl-
- Molecular weight: 75.517
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Gas phase ion energetics 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
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.97 ± 0.19 | D-EA | Dahlke and Kass, 1991 | Between MeOH, EtOH. Reprotonation site uncertain |
Protonation reactions
C3H4Cl- + =
By formula: C3H4Cl- + H+ = C3H5Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 379.9 ± 4.1 | kcal/mol | G+TS | Dahlke and Kass, 1991 | gas phase; Between MeOH, EtOH. Reprotonation site uncertain |
| ΔrH° | 375.4 ± 2.1 | kcal/mol | G+TS | Poutsma, Nash, et al., 1997 | gas phase; Between iPrOH, HF, near tBuOH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 372.5 ± 4.0 | kcal/mol | IMRB | Dahlke and Kass, 1991 | gas phase; Between MeOH, EtOH. Reprotonation site uncertain |
| ΔrG° | 368.0 ± 2.0 | kcal/mol | IMRB | Poutsma, Nash, et al., 1997 | gas phase; Between iPrOH, HF, near tBuOH |
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.
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]
Poutsma, Nash, et al., 1997
Poutsma, J.C.; Nash, J.J.; Paulino, J.A.; Squires, R.R.,
Absolute Heats of Formation of Phenylcarbene and Vinylcarbene,
J. Am. Chem. Soc., 1997, 119, 20, 4686, https://doi.org/10.1021/ja963918s
. [all data]
Notes
Go To: Top, 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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