Benzoic acid, 2-methyl-
- Formula: C8H8O2
- Molecular weight: 136.1479
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: ZWLPBLYKEWSWPD-UHFFFAOYSA-N
- CAS Registry Number: 118-90-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: o-Toluic acid; o-Methylbenzoic acid; o-Toluylic acid; 2-Methylbenzoic acid; Orthotoluic 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°||339.2 ± 2.2||kcal/mol||G+TS||Kebarle and McMahon, 1977||gas phase|
|rG°||332.1 ± 2.0||kcal/mol||IMRE||Kebarle and McMahon, 1977||gas phase|
|rG°||332.4 ± 2.0||kcal/mol||IMRE||Decouzon, Ertl, et al., 1993||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]
Decouzon, Ertl, et al., 1993
Decouzon, M.; Ertl, P.; Exner, O.; Gal, J.F.; Maria, P.C., Concepts of Sterically Hindered Resonance and Buttressing Effect - Gas-Phase Acidities of Methyl-Substituted Benzoic Acids and Basicities of, J. Am. Chem. Soc., 1993, 115, 25, 12071, https://doi.org/10.1021/ja00078a052 . [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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