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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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
BS - Robert L. Brown and Stephen E. Stein
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 |
---|---|---|---|---|---|
Tboil | 404.9 ± 0.6 | K | AVG | N/A | Average of 53 out of 55 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 228.0 ± 0.4 | K | AVG | N/A | Average of 19 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 227.9 | K | N/A | Stull, 1937 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 632.35 | K | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.3 K; disappearance of meniscus; TRC |
Tc | 632.65 | K | N/A | Livingston, Morgan, et al., 1908 | Uncertainty assigned by TRC = 6. K; calculation based on extrap. of density and surface tension; TRC |
Tc | 635.35 | K | N/A | Altschul, 1893 | Uncertainty assigned by TRC = 2. K; disappearance of meniscus; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 45.191 | bar | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.3039 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.24 | mol/l | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.04 mol/l; law of rectilinear diam.; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 41. ± 4. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
35.19 | 404.9 | N/A | Majer and Svoboda, 1985 | |
48.1 | 258. to 313. | GC | Liu and Dickhut, 1994 | AC |
35.4 | 420. | A | Stephenson and Malanowski, 1987 | Based on data from 405. to 597. K.; AC |
38.8 | 348. | A | Stephenson and Malanowski, 1987 | Based on data from 333. to 405. K. See also Brown, 1952 and Boublik, Fried, et al., 1984.; AC |
37.3 | 278. | ME | Zibberman-Granovskaya, 1940 | Based on data from 253. to 303. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
335.19 to 404.88 | 4.11083 | 1435.675 | -55.124 | Brown, 1952, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.55 | 227.9 | Domalski and Hearing, 1996 | AC |
9.556 | 227.89 | Stull, 1937, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
41.93 | 227.89 | Stull, 1937, 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.
Stull, 1937
Stull, D.R.,
A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp.,
J. Am. Chem. Soc., 1937, 59, 2726. [all data]
Young, 1910
Young, S.,
The Internal Heat of Vaporization constants of thirty pure substances,
Sci. Proc. R. Dublin Soc., 1910, 12, 374. [all data]
Livingston, Morgan, et al., 1908
Livingston, J.; Morgan, R.; Higgins, E.,
The Weight of Falling Drops and Tate's Laws. Determination of Molecular Weights and Critical Temp. of Liquids Using Drop Weights: II.,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1908, 64, 170. [all data]
Altschul, 1893
Altschul, M.,
The critical values of some organic compounds,
Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1893, 11, 577. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Liu and Dickhut, 1994
Liu, Kewen; Dickhut, Rebecca M.,
Saturation vapor pressures and thermodynamic properties of benzene and selected chlorinated benzenes at environmental temperatures,
Chemosphere, 1994, 29, 3, 581-589, https://doi.org/10.1016/0045-6535(94)90445-6
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Brown, 1952
Brown, I.,
Aust. J. Sci. Res., Ser. A, 1952, 5, 530. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Zibberman-Granovskaya, 1940
Zibberman-Granovskaya, A.A.,
Russ. J. Phys. Chem., 1940, 14, 759. [all data]
Brown, 1952, 2
Brown, I.,
Liquid-Vapour Equilibria. III. The Systems Benzene-n-Heptane, n-Hexane-Chlorobenzene, and cycloHexane-Nitrobenzene,
Aust. J. Sci. Res. Ser. A:, 1952, 5, 530-540. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Stull, 1937, 2
Stull, D.R.,
A semi-micro calorimeter for measuring heat capacities at low temperatures,
J. Am. Chem. Soc., 1937, 59, 2726-2733. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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