oCl-phenide anion
- Formula: C6H4Cl-
- Molecular weight: 111.550
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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
C6H4Cl- + =
By formula: C6H4Cl- + H+ = C6H5Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 386.7 ± 2.1 | kcal/mol | G+TS | Andrade and Riveros, 1996 | gas phase |
| ΔrH° | 388.2 ± 2.0 | kcal/mol | Bran | Wenthold and Squires, 1995 | gas phase |
| ΔrH° | 387.7 ± 3.1 | kcal/mol | G+TS | Wenthold, Paulino, et al., 1991 | gas phase; Between PhF, furan |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 378.5 ± 2.0 | kcal/mol | IMRE | Andrade and Riveros, 1996 | gas phase |
| ΔrG° | 380.0 ± 2.1 | kcal/mol | H-TS | Wenthold and Squires, 1995 | gas phase |
| ΔrG° | 379.5 ± 3.0 | kcal/mol | IMRB | Wenthold, Paulino, et al., 1991 | gas phase; Between PhF, furan |
| ΔrG° | 379.0 ± 5.0 | kcal/mol | IMRB | Bartmess and McIver Jr., 1979 | gas phase; Between H2O, MeOH |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andrade and Riveros, 1996
Andrade, P.B.M.; Riveros, J.M.,
Relative Gas-phase Acidities of Fluoro- and Chlorobenzene,
J. Mass Spectrom., 1996, 31, 7, 767, https://doi.org/10.1002/(SICI)1096-9888(199607)31:7<767::AID-JMS345>3.0.CO;2-Q
. [all data]
Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Determination of the gas-phase acidities of halogen-substituted aromatic compounds using the silane-cleavage method,
J. Mass Spectrom., 1995, 30, 1, 17, https://doi.org/10.1002/jms.1190300105
. [all data]
Wenthold, Paulino, et al., 1991
Wenthold, P.G.; Paulino, J.A.; Squires, R.R.,
The Absolute Heats of Formation of ortho-Benzyne, meta-Benzyne, and para-Benzyne,
J. Am. Chem. Soc., 1991, 113, 19, 7414, https://doi.org/10.1021/ja00019a044
. [all data]
Bartmess and McIver Jr., 1979
Bartmess, J.E.; McIver Jr.,
The Gas Phase Acidity Scale
in Gas Phase Ion Chemistry, Gas Phase Ion Chemistry, V. 2, M.T. Bowers, Ed., Academic Press, NY, 1979, Ch. 11, Elsevier, 1979. [all data]
Notes
Go To: Top, Reaction thermochemistry 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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