Benzoic acid, 2-chloro-
- Formula: C7H5ClO2
- Molecular weight: 156.566
- IUPAC Standard InChI: InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
- IUPAC Standard InChIKey: IKCLCGXPQILATA-UHFFFAOYSA-N
- CAS Registry Number: 118-91-2
- 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-chloro-; o-Chlorobenzoic acid; 2-Chlorobenzoic acid; 2-CBA; Chlorobenzoic acid; Kyselina o-chlorbenzoova
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Condensed phase thermochemistry data
Go To: Top, References, Notes
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 | -405.1 ± 0.5 | kJ/mol | Ccr | Sabbah and Rojas Aguilar, 1995 | HCl(1:600 H2O); ALS |
| ΔfH°solid | -404.83 ± 0.74 | kJ/mol | Ccr | Johnson and Prosen, 1974 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -3087.76 ± 0.25 | kJ/mol | Ccr | Sabbah and Rojas Aguilar, 1995 | HCl(1:600 H2O); ALS |
| ΔcH°solid | -3073.1 ± 4.6 | kJ/mol | Ccb | Holdiness, 1983 | ALS |
| ΔcH°solid | -3087.91 ± 0.69 | kJ/mol | Ccr | Johnson and Prosen, 1974 | ALS |
| ΔcH°solid | -3094.1 ± 8.4 | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3094. ± 8. kJ/mol; ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 163.2 | 298. | Andrews, Lynn, et al., 1926 | T = 22 to 200 C.; DH |
References
Go To: Top, 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, 1995
Sabbah, R.; Rojas Aguilar, A.,
Etude thermodynamique des trois isomeres de l'acide chlorobenzoique. Partie II,
Can. J. Chem., 1995, 73, 1538-1545. [all data]
Johnson and Prosen, 1974
Johnson, W.H.; Prosen, E.J.,
The enthalpies of combustion and formation of the mono-chlorobenzoic acids,
J. Res. NBS, 1974, 78, 683-689. [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]
Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H.,
Heats of combustion of organic chloro compounds determined by the "quartz wool" method,
Acta Chem. Scand., 1953, 7, 65. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J.,
The heat capacities and heat of crystallization of some isomeric aromatic compounds,
J. Am. Chem. Soc., 1926, 48, 1274-1287. [all data]
Notes
Go To: Top, 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°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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