Benzoic acid, 2-fluoro-
- Formula: C7H5FO2
- Molecular weight: 140.1118
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: NSTREUWFTAOOKS-UHFFFAOYSA-N
- CAS Registry Number: 445-29-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Benzoic acid, o-fluoro-; o-Fluorobenzoic acid; 2-Fluorobenzoic acid; ortho-Fluorobenzoic acid; o-Fluorbenzoesaeure
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Condensed phase 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°solid||-135.88 ± 0.26||kcal/mol||Ccr||Johnson and Prosen, 1975|
|fH°solid||-135.67 ± 0.45||kcal/mol||Ccr||Good, Scott, et al., 1956||Corrected for CODATA value of «DELTA»fH|
|cH°solid||-736.14 ± 0.24||kcal/mol||Ccr||Johnson and Prosen, 1975|
|cH°solid||-736.28 ± 0.36||kcal/mol||Ccr||Good, Scott, et al., 1956||Corrected for CODATA value of «DELTA»fH|
|cH°solid||-740.1||kcal/mol||Ccb||Swarts, 1919||Not corrected for CODATA value of «DELTA»fH|
Reaction thermochemistry data
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Data compiled by: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
C7H4FO2- + =
By formula: C7H4FO2- + H+ = C7H5FO2
|rH°||338.0 ± 2.2||kcal/mol||G+TS||Kebarle and McMahon, 1977||gas phase|
|rG°||330.6 ± 2.0||kcal/mol||IMRE||Kebarle and McMahon, 1977||gas phase|
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Johnson and Prosen, 1975
Johnson, W.H.; Prosen, E.J., Enthalpies of combustion and formation of ortho- and parafluorobenzoic acid, J. Res. Natl. Bur. Stand. Sect. A:, 1975, 79, 481-486. [all data]
Good, Scott, et al., 1956
Good, W.D.; Scott, D.W.; Waddington, G., Combustion calorimetry of organic fluorine compounds by a rotating-bomb method, J. Phys. Chem., 1956, 60, 1080-1089. [all data]
Swarts, F., Etudes thermochimiques sur les combinaisons organiques fluorees, J. Chim. Phys., 1919, 17, 3-70. [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, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
cH°solid Enthalpy of combustion of solid at standard conditions fH°solid Enthalpy of formation of solid at standard conditions 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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