Benzoic acid, 2-chloro-
- Formula: C7H5ClO2
- Molecular weight: 156.566
- 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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Phase change 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Tfus | 413.4 | K | N/A | Andrews, Lynn, et al., 1926 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 106.3 ± 0.5 | kJ/mol | ME | Ribeiro da Silva, Fonseca, et al., 2005 | Based on data from 320. to 339. K.; AC |
ΔsubH° | 100.9 ± 0.5 | kJ/mol | C | Sabbah and Aguilar, 1995 | AC |
ΔsubH° | 100.9 ± 0.5 | kJ/mol | C | Sabbah and Rojas Aguilar, 1995 | HCl(1:600 H2O); ALS |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
105.0 ± 0.4 | 330. | ME | Ribeiro da Silva, Fonseca, et al., 2005 | Based on data from 320. to 339. K.; AC |
79. ± 2. | 333. | V | Wolf and Weghofer, 1938 | ALS |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
26.290 | 414.10 | N/A | Sabbath and Hirtz, 1991 | DH |
25.25 | 414. | DSC | Ribeiro da Silva, Fonseca, et al., 2005 | AC |
25.73 | 413.4 | N/A | Acree, 1991 | AC |
26.3 | 414. | N/A | Sabbah and Hirtz, 1991 | AC |
25.730 | 413.4 | N/A | Andrews, Lynn, et al., 1926, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
62.2 | 413.4 | Andrews, Lynn, et al., 1926, 2 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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. [all data]
Ribeiro da Silva, Fonseca, et al., 2005
Ribeiro da Silva, Manuel A.V.; Fonseca, José M.S.; Carvalho, Rui P.B.M.; Monte, Manuel J.S.,
Thermodynamic study of the sublimation of six halobenzoic acids,
The Journal of Chemical Thermodynamics, 2005, 37, 3, 271-279, https://doi.org/10.1016/j.jct.2004.09.005
. [all data]
Sabbah and Aguilar, 1995
Sabbah, Raphaël; Aguilar, Aaron Rojas,
Étude thermodynamique des trois isomères de l'acide chlorobenzoïque. Partie II,
Can. J. Chem., 1995, 73, 9, 1538-1545, https://doi.org/10.1139/v95-191
. [all data]
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]
Wolf and Weghofer, 1938
Wolf, K.L.; Weghofer, H.,
Uber sublimationswarmen,
Z. Phys. Chem., 1938, 39, 194-208. [all data]
Sabbath and Hirtz, 1991
Sabbath, R.; Hirtz, H.,
Etude thermodynamique des trois acides chlorobenzoiques, 1991, Bull. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Sabbah and Hirtz, 1991
Sabbah, R.; Hirtz, H.,
Thermodynamic study of chlorobenzoic acids,
Bull. Soc. Chim. Fr., 1991, 26. [all data]
Andrews, Lynn, et al., 1926, 2
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, Phase change data, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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