CH2=CHCHCl anion
- Formula: C3H4Cl-
- Molecular weight: 75.517
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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
C3H4Cl- + =
By formula: C3H4Cl- + H+ = C3H5Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1590. ± 17. | kJ/mol | G+TS | Dahlke and Kass, 1991 | gas phase; Between MeOH, EtOH. Reprotonation site uncertain |
| ΔrH° | 1571. ± 8.8 | kJ/mol | G+TS | Poutsma, Nash, et al., 1997 | gas phase; Between iPrOH, HF, near tBuOH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1559. ± 17. | kJ/mol | IMRB | Dahlke and Kass, 1991 | gas phase; Between MeOH, EtOH. Reprotonation site uncertain |
| ΔrG° | 1540. ± 8.4 | kJ/mol | IMRB | Poutsma, Nash, et al., 1997 | gas phase; Between iPrOH, HF, near tBuOH |
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 |
|---|---|---|---|
| 0.97 ± 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° | 1590. ± 17. | kJ/mol | G+TS | Dahlke and Kass, 1991 | gas phase; Between MeOH, EtOH. Reprotonation site uncertain |
| ΔrH° | 1571. ± 8.8 | kJ/mol | G+TS | Poutsma, Nash, et al., 1997 | gas phase; Between iPrOH, HF, near tBuOH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1559. ± 17. | kJ/mol | IMRB | Dahlke and Kass, 1991 | gas phase; Between MeOH, EtOH. Reprotonation site uncertain |
| ΔrG° | 1540. ± 8.4 | kJ/mol | IMRB | Poutsma, Nash, et al., 1997 | gas phase; Between iPrOH, HF, near tBuOH |
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]
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, 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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