2,3-diCl-phenide anion
- Formula: C6H3Cl2-
- Molecular weight: 145.995
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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
C6H3Cl2- + =
By formula: C6H3Cl2- + H+ = C6H4Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 377.1 ± 2.1 | kcal/mol | G+TS | Schlosser, Marzi, et al., 2001 | gas phase; Acid: o-dichlorobenzene. Anion assigned based on ab initio calculations. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 368.7 ± 2.0 | kcal/mol | IMRE | Schlosser, Marzi, et al., 2001 | gas phase; Acid: o-dichlorobenzene. Anion assigned based on ab initio calculations. |
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
C6H3Cl2- + =
By formula: C6H3Cl2- + H+ = C6H4Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 377.1 ± 2.1 | kcal/mol | G+TS | Schlosser, Marzi, et al., 2001 | gas phase; Acid: o-dichlorobenzene. Anion assigned based on ab initio calculations. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 368.7 ± 2.0 | kcal/mol | IMRE | Schlosser, Marzi, et al., 2001 | gas phase; Acid: o-dichlorobenzene. Anion assigned based on ab initio calculations. |
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.
Schlosser, Marzi, et al., 2001
Schlosser, M.; Marzi, E.; Cottet, F.; Buker, H.H.; Nibbering, N.M.M.,
The acidity of chloro-substituted benzenes: A comparison of gas phase, ab initio, and kinetic data,
Chem. Eur. J., 2001, 7, 16, 3511-3516, https://doi.org/10.1002/1521-3765(20010817)7:16<3511::AID-CHEM3511>3.0.CO;2-U
. [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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