C8H7ClO2
- Formula: C8H7ClO2
- Molecular weight: 170.593
- IUPAC Standard InChI: InChI=1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11)
- IUPAC Standard InChIKey: PBSUMBYSVFTMNG-UHFFFAOYSA-N
- CAS Registry Number: 31719-77-4
- Chemical structure:
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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
De-protonation reactions
C8H6ClO2- + =
By formula: C8H6ClO2- + H+ = C8H7ClO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1409. ± 8.8 | kJ/mol | G+TS | Decouzon, Exner, et al., 1994 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1380. ± 8.4 | kJ/mol | IMRE | Decouzon, Exner, et al., 1994 | gas phase |
References
Go To: Top, 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.
Decouzon, Exner, et al., 1994
Decouzon, M.; Exner, O.; Gal, J.F.; Maria, P.C.,
The Meta versus Para substituent effect in the gas phase: Separation of inductive and resonance components,
J. Phys. Org. Chem., 1994, 7, 11, 615, https://doi.org/10.1002/poc.610071105
. [all data]
Notes
Go To: Top, 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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