ClCHCN anion
- Formula: C2HClN-
- Molecular weight: 74.490
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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
C2HClN- + =
By formula: C2HClN- + H+ = C2H2ClN
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 357.7 ± 2.2 | kcal/mol | G+TS | Poutsma, Upshaw, et al., 2002 | gas phase |
| ΔrH° | 348.2 ± 6.9 | kcal/mol | EIAE | Hacaloglu, Suzer, et al., 1988 | gas phase; From ClCH2CN. ΔGacid more likely to be ca. 360 - JEB. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 350.0 ± 2.0 | kcal/mol | IMRB | Poutsma, Upshaw, et al., 2002 | gas phase |
| ΔrG° | 341.6 ± 7.8 | kcal/mol | H-TS | Hacaloglu, Suzer, et al., 1988 | gas phase; From ClCH2CN. ΔGacid more likely to be ca. 360 - JEB. |
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
C2HClN- + =
By formula: C2HClN- + H+ = C2H2ClN
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 357.7 ± 2.2 | kcal/mol | G+TS | Poutsma, Upshaw, et al., 2002 | gas phase |
| ΔrH° | 348.2 ± 6.9 | kcal/mol | EIAE | Hacaloglu, Suzer, et al., 1988 | gas phase; From ClCH2CN. ΔGacid more likely to be ca. 360 - JEB. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 350.0 ± 2.0 | kcal/mol | IMRB | Poutsma, Upshaw, et al., 2002 | gas phase |
| ΔrG° | 341.6 ± 7.8 | kcal/mol | H-TS | Hacaloglu, Suzer, et al., 1988 | gas phase; From ClCH2CN. ΔGacid more likely to be ca. 360 - JEB. |
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.
Poutsma, Upshaw, et al., 2002
Poutsma, J.C.; Upshaw, S.D.; Squires, R.R.; Wenthold, P.G.,
Absolute heat of formation and singlet-triplet splitting for HCCN,
J. Phys. Chem. A, 2002, 106, 6, 1067-1073, https://doi.org/10.1021/jp013653q
. [all data]
Hacaloglu, Suzer, et al., 1988
Hacaloglu, J.; Suzer, S.; Oster, T.; Illenberger, E.,
Negative Ion Formation in Fluoroacetonitrile and Chloroacetonitrile following Low Energy Electron Impact,
Chem. Phys. Lett., 1988, 153, 2-3, 268, https://doi.org/10.1016/0009-2614(88)85224-2
. [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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