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 | -59.01 ± 0.50 | kcal/mol | Ccr | Sabbah and Rojas Aguilar, 1996 | |
| ΔfH°gas | -61.52 ± 0.43 | kcal/mol | Ccr | Ferrao and Pilcher, 1987 |
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -81.93 ± 0.50 | kcal/mol | Ccr | Sabbah and Rojas Aguilar, 1996 | ALS |
| ΔfH°solid | -88.03 ± 0.33 | kcal/mol | Ccr | Ferrao and Pilcher, 1987 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -747.20 ± 0.50 | kcal/mol | Ccr | Sabbah and Rojas Aguilar, 1996 | ALS |
| ΔcH°solid | -741.11 ± 0.24 | kcal/mol | Ccr | Ferrao and Pilcher, 1987 | ALS |
| ΔcH°solid | -737.3 ± 1.0 | kcal/mol | Ccb | Holdiness, 1983 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 36.76 | 298.15 | Ferrao and Pilcher, 1987 | Value given as Cp = 0.765 J K-1 g-1.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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]
Holdiness, 1983
Holdiness, M.R.,
Heats of atomization and resonance energy of some ortho-substituted benzoic acids,
Thermochim. Acta, 1983, 71, 257-263. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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