Benzene, chloro-
- Formula: C6H5Cl
- Molecular weight: 112.557
- IUPAC Standard InChIKey: MVPPADPHJFYWMZ-UHFFFAOYSA-N
- CAS Registry Number: 108-90-7
- 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: Chlorobenzene; Monochlorobenzene; MCB; Phenyl Chloride; Benzene chloride; Chlorbenzene; Chlorobenzol; Monochlorbenzene; Chloorbenzeen; Chlorbenzol; Chlorobenzen; Chlorobenzene, mono-; Clorobenzene; Monochloorbenzeen; Monochlorbenzol; Monoclorobenzene; NCI-C54886; Chlorobenzenu; UN 1134; Abluton T30; CP 27; IP Carrier T 40; NSC 8433; Tetrosin SP
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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°liquid | 11.5 ± 1.0 | kJ/mol | Ccr | Kolesov, Tomareva, et al., 1967 | Reanalyzed by Cox and Pilcher, 1970, Original value = 11.8 kJ/mol; ALS |
ΔfH°liquid | 10.7 ± 0.79 | kJ/mol | Ccb | Hubbard, Knowlton, et al., 1954 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3112.7 ± 0.9 | kJ/mol | Ccr | Platonov and Simulin, 1985 | ALS |
ΔcH°liquid | -3110.7 ± 1.0 | kJ/mol | Ccr | Kolesov, Tomareva, et al., 1967 | ALS |
ΔcH°liquid | -3108.9 ± 0.79 | kJ/mol | Ccb | Hubbard, Knowlton, et al., 1954 | ALS |
ΔcH°liquid | -3111.6 ± 8.4 | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3107.2 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 197.5 | J/mol*K | N/A | Stull, 1937 | Extrapolation below 91 K, 44.02 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
152.1 | 298.15 | Shehatta, 1993 | DH |
153.78 | 298.15 | Perez-Casas, Aicart, et al., 1988 | DH |
150.6 | 303.15 | Reddy, 1986 | T = 303.15, 313.15 K.; DH |
150.787 | 298.15 | Fortier and Benson, 1977 | DH |
147.7 | 298. | Deshpande and Bhatagadde, 1971 | T = 298 to 318 K.; DH |
157.3 | 305.6 | Phillip, 1939 | DH |
150.08 | 298.1 | Stull, 1937 | T = 90 to 320 K.; DH |
145.6 | 293.2 | Williams and Daniels, 1925 | T = 20 to 80°C.; DH |
141.0 | 298. | von Reis, 1881 | T = 294 to 425 K.; DH |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
106.3 | 216.8 | Andrews and Haworth, 1928 | T = 101 to 217 K. Value is unsmoothed experimental datum.; 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.
Kolesov, Tomareva, et al., 1967
Kolesov, V.P.; Tomareva, E.M.; Skuratov, S.M.; Alekhin, S.P.,
Calorimeter having a rotating bomb for determining heats of combustion of chlorinated organic compounds,
Russ. J. Phys. Chem. (Engl. Transl.), 1967, 41, 817-820. [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]
Hubbard, Knowlton, et al., 1954
Hubbard, W.N.; Knowlton, J.W.; Huffman, H.M.,
Combustion calorimetry of organic chlorine compounds. Heats of combustion of chlorobenzene, the dichlorobenzenes and o- and p-chloroethylbenzene,
J. Phys. Chem., 1954, 58, 396. [all data]
Platonov and Simulin, 1985
Platonov, V.A.; Simulin, Yu.N.,
Determination of the standard enthalpies of formation of polychlorobenzenes. III. The standard enthalpies of formation of mono-1,2,4- and 1,3,5-tri-, and 1,2,3,4- and 1,2,3,5-tetrachlorobenzenes,
Russ. J. Phys. Chem. (Engl. Transl.), 1985, 59, 179-181. [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]
Stull, 1937
Stull, D.R.,
A semi-micro calorimeter for measuring heat capacities at low temperatures,
J. Am. Chem. Soc., 1937, 59, 2726-2733. [all data]
Shehatta, 1993
Shehatta, I.,
Heat capacity at constant pressure of some halogen compounds,
Thermochim. Acta, 1993, 213, 1-10. [all data]
Perez-Casas, Aicart, et al., 1988
Perez-Casas, S.; Aicart, E.; Trojo, L.M.; Costas, M.,
Excess heat capacity. Chlorobenzene-2,2,4,4,6,8,8-heptamethylnonane, Int. Data Ser.,
Sel. Data Mixtures, 1988, (2)A, 123. [all data]
Reddy, 1986
Reddy, K.S.,
Isentropic compressibilities of binary liquid mixtures at 303.15 and 313.15 K,
J. Chem. Eng. Data, 1986, 31, 238-240. [all data]
Fortier and Benson, 1977
Fortier, J.-L.; Benson, G.C.,
Excess heat capacities of binary mixtures of tetrachloromethane witlh some aromatic liquids at 298.15 K,
J. Chem. Thermodynam., 1977, 9, 1181-1188. [all data]
Deshpande and Bhatagadde, 1971
Deshpande, D.D.; Bhatagadde, L.G.,
Heat capacities at constant volume, free volumes, and rotational freedom in some liquids,
Aust. J. Chem., 1971, 24, 1817-1822. [all data]
Phillip, 1939
Phillip, N.M.,
Adiabatic and isothermal compressibilities of liquids,
Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]
Williams and Daniels, 1925
Williams, J.W.; Daniels, F.,
The specific heats of binary mixtures,
J. Am. Chem. Soc., 1925, 47, 1490-1503. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Andrews and Haworth, 1928
Andrews, D.H.; Haworth, E.,
An application of the rule of Dulong and Petit to molecules,
J. Am. Chem. Soc., 1928, 50, 2998-3002. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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