2,6-diCl-phenide anion
- Formula: C6H3Cl2-
- Molecular weight: 145.995
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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
Protonation reactions
C6H3Cl2- + =
By formula: C6H3Cl2- + H+ = C6H4Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 374.0 ± 2.1 | kcal/mol | G+TS | Schlosser, Marzi, et al., 2001 | gas phase; Acid: m-dichlorobenzene. Anion assigned based on ab initio calculations. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 366.3 ± 2.0 | kcal/mol | IMRE | Schlosser, Marzi, et al., 2001 | gas phase; Acid: m-dichlorobenzene. Anion assigned based on ab initio calculations. |
References
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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
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- 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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