Benzoic acid, 4-cyano-
- Formula: C8H5NO2
- Molecular weight: 147.1308
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: ADCUEPOHPCPMCE-UHFFFAOYSA-N
- CAS Registry Number: 619-65-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Benzoic acid, p-cyano-; p-Carboxybenzonitrile; p-Cyanobenzoic acid; 4-Cyanobenzoic acid; Terephthalic mononitrile; 4-Carboxybenzonitrile
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Reaction thermochemistry data
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Data compiled by: John E. Bartmess
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C8H4NO2- + =
By formula: C8H4NO2- + H+ = C8H5NO2
|rH°||327.8 ± 2.1||kcal/mol||G+TS||Kebarle and McMahon, 1977||gas phase|
|rG°||320.8 ± 2.0||kcal/mol||IMRE||Kebarle and McMahon, 1977||gas phase|
Go To: Top, Reaction thermochemistry data, Notes
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]
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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