- Formula: C7H8O2
- Molecular weight: 124.1372
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: ASHGTJPOSUFTGB-UHFFFAOYSA-N
- CAS Registry Number: 150-19-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Phenol, 3-methoxy-; Phenol, m-methoxy-; m-Hydroxyanisole; m-Methoxyphenol; Resorcinol methyl ether; Resorcinol monomethyl ether; 1-Hydroxy-3-methoxybenzene; 3-Hydroxyanisole; 3-Methoxyphenol; m-Hydroxyanisol; NSC 21735
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Reaction thermochemistry 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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+ = ( )
By formula: Br- + C7H8O2 = (Br- C7H8O2)
|rH°||22.1 ± 1.8||kcal/mol||IMRE||Paul and Kebarle, 1990||gas phase; «DELTA»Gaff at 423 K; B,M|
|rS°||23.||cal/mol*K||N/A||Paul and Kebarle, 1990||gas phase; Entropy change calculated or estimated; M|
|rG°||12.4 ± 1.0||kcal/mol||IMRE||Paul and Kebarle, 1990||gas phase; «DELTA»Gaff at 423 K; B|
Free energy of reaction
|rG° (kcal/mol)||T (K)||Method||Reference||Comment|
|12.4||423.||PHPMS||Paul and Kebarle, 1990||gas phase; Entropy change calculated or estimated; M|
C7H7O2- + =
By formula: C7H7O2- + H+ = C7H8O2
|rH°||348.0 ± 2.1||kcal/mol||G+TS||Fujio, McIver, et al., 1981||gas phase; value altered from reference due to change in acidity scale; B|
|rH°||348.8 ± 2.3||kcal/mol||G+TS||Kebarle and McMahon, 1977||gas phase; B|
|rG°||341.1 ± 2.0||kcal/mol||IMRE||Fujio, McIver, et al., 1981||gas phase; value altered from reference due to change in acidity scale; B|
|rG°||341.9 ± 2.0||kcal/mol||IMRE||Kebarle and McMahon, 1977||gas phase; B|
Go To: Top, Reaction thermochemistry data, Notes
Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P., Stabilities in the Gas Phase of the Hydrogen Bonded Complexes, YC6H4OH-X-, of Substituted Phenols, YC6H4OH, with the Halide Anions X-(Cl-, Br-), Can. J. Chem., 1990, 68, 11, 2070, https://doi.org/10.1139/v90-316 . [all data]
Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]
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:
T Temperature rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions rS° Entropy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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