Benzoic acid, 4-methyl-
- Formula: C8H8O2
- Molecular weight: 136.1479
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: LPNBBFKOUUSUDB-UHFFFAOYSA-N
- CAS Registry Number: 99-94-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: p-Toluic acid; p-Methylbenzoic acid; p-Toluylic acid; Crithminic acid; 4-Methylbenzoic acid; 4-Toluic acid; para-Toluic acid; NSC 2215; p-Carboxytoluene; p-Tolylcarboxylic acid
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Reaction thermochemistry data
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Data compiled by: John E. Bartmess
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C8H7O2- + =
By formula: C8H7O2- + H+ = C8H8O2
|rH°||341.0 ± 2.1||kcal/mol||G+TS||Kebarle and McMahon, 1977||gas phase|
|rH°||340.7 ± 2.1||kcal/mol||G+TS||Decouzon, Exner, et al., 1996||gas phase; relative to benzoate at 333.0 kcal/mol|
|rG°||334.0 ± 2.0||kcal/mol||IMRE||Kebarle and McMahon, 1977||gas phase|
|rG°||333.7 ± 2.0||kcal/mol||IMRE||Decouzon, Exner, et al., 1996||gas phase; relative to benzoate at 333.0 kcal/mol|
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]
Decouzon, Exner, et al., 1996
Decouzon, M.; Exner, O.; Gal, J.-F.; Maria, P.-C., Non-classical Buttressing Effect: Gas-phase Ionization of Some Methyl Substituted Benzoic Acids, J. Chem. Soc. Perkin Trans., 1996, 2, 4, 475, https://doi.org/10.1039/p29960000475 . [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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