Benzoic acid, 4-chloro-
- Formula: C7H5ClO2
- Molecular weight: 156.566
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: XRHGYUZYPHTUJZ-UHFFFAOYSA-N
- CAS Registry Number: 74-11-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Benzoic acid, p-chloro-; p-Chlorbenzoic acid; p-Chlorobenzoic acid; Chlorodracylic acid; 4-Chlorobenzoic acid; Acido p-clorobenzoico; p-Carboxychlorobenzene
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Reaction thermochemistry data
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Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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C7H4ClO2- + =
By formula: C7H4ClO2- + H+ = C7H5ClO2
|rH°||335.5 ± 2.1||kcal/mol||G+TS||Kebarle and McMahon, 1977||gas phase; B|
|rG°||328.5 ± 2.0||kcal/mol||IMRE||Kebarle and McMahon, 1977||gas phase; B|
+ = +
By formula: C7H4Cl2O + H2O = C7H5ClO2 + HCl
|rH°||-10.45 ± 0.10||kcal/mol||Cm||Moselhy and Pritchard, 1975||liquid phase; solvent: Diphenyl-ether; ALS|
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Kebarle and McMahon, 1977
Kebarle, P.; McMahon, T.B., Intrinsic Acidities of Substituted Phenols and Benzoic Acids Determined by Gas Phase Proton Transfer Equilibria, J. Am. Chem. Soc., 1977, 99, 7, 2222, https://doi.org/10.1021/ja00449a032 . [all data]
Moselhy and Pritchard, 1975
Moselhy, G.M.; Pritchard, H.O., The thermochemistry of the chloro-benzoyl chlorides, J. Chem. Thermodyn., 1975, 7, 977-982. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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