Benzoic acid, 2-bromo-
- Formula: C7H5BrO2
- Molecular weight: 201.017
- IUPAC Standard InChI: InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
- IUPAC Standard InChIKey: XRXMNWGCKISMOH-UHFFFAOYSA-N
- CAS Registry Number: 88-65-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzoic acid, o-bromo-; o-Bromobenzoic acid; 2-Bromobenzoic acid
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Gas 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -246.9 ± 2.1 | kJ/mol | Ccr | Sabbah and Rojas Aguilar, 1996 | |
| ΔfH°gas | -257.4 ± 1.8 | kJ/mol | Ccr | Ferrao and Pilcher, 1987 |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 1459. | Peng, Ding, et al., 1988 | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m |
References
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sabbah and Rojas Aguilar, 1996
Sabbah, R.; Rojas Aguilar, A.,
Thermodynamic study of the three isomers of bromo and iodobenzoic acids. Part II,
Struct. Chem., 1996, 7, 383-390. [all data]
Ferrao and Pilcher, 1987
Ferrao, M.C.C.H.; Pilcher, G.,
Enthalpies of combustion of the three bromobenzoic acids by rotating-bomb calorimetry,
J. Chem. Thermodyn., 1987, 19, 543-548. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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