Benzene, 1,4-dichloro- - The NIST WebBook

Benzene, 1,4-dichloro-

• Formula: C6H4Cl2
• Molecular weight: 147.002
• IUPAC Standard InChI: InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H Copy
• IUPAC Standard InChIKey: OCJBOOLMMGQPQU-UHFFFAOYSA-N Copy
• CAS Registry Number: 106-46-7
• Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file View 3d structure (requires JavaScript / HTML 5)
• Isotopologues:
  • 1,4-Dichlorobenzene-D4
• Other names: Benzene, p-dichloro-; p-Chlorophenyl chloride; p-Dichlorobenzene; Di-chloricide; Evola; Paradi; Paradow; Paramoth; Persia-Perazol; PDB; Santochlor; 1,4-Dichlorobenzene; p-Dichlorobenzol; Paradichlorobenzol; para-Dichlorobenzene; p-Dichloorbenzeen; p-Dichlorbenzol; p-Diclorobenzene; Dichlorobenzene; Dichlorobenzene, p-; NCI-C54955; para crystals; Paracide; Paranuggets; Parazene; 1,4-Dichloorbenzeen; 1,4-Dichlor-benzol; 1,4-Diclorobenzene; Dichlorobenzene, para; Globol; Paradichlorbenzol; Rcra waste number U070; Rcra waste number U071; Rcra waste number U072; UN 1592; Dichlorocide; Kaydox; p-Dichlorbenzene; NSC 36935; 1,4-chlorobenzene
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• Information on this page:
  • Condensed phase thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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
ΔcH°liquid	-2937. ± 4.	kJ/mol	Ccb	Smith, Bjellerup, et al., 1953	ALS
Quantity	Value	Units	Method	Reference	Comment
ΔfH°solid	-42.3 ± 1.0	kJ/mol	Ccb	Hubbard, Knowlton, et al., 1954	ALS
Quantity	Value	Units	Method	Reference	Comment
ΔcH°solid	-2939.9	kJ/mol	Ccr	Platonov and Simulin, 1984	ALS
ΔcH°solid	-2934.1 ± 1.0	kJ/mol	Ccb	Hubbard, Knowlton, et al., 1954	ALS
Quantity	Value	Units	Method	Reference	Comment
S°solid,1 bar	175.41	J/mol*K	N/A	Dworkin, Figuiere, et al., 1976	crystaline, II phase; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K)	Temperature (K)	Reference	Comment
98.	180.	Martin and Monti, 1988	T = 30 to 180 K. Data given graphically, and estimated from graph.; DH
147.76	298.15	Dworkin, Figuiere, et al., 1976	crystaline, II phase; T = 20 to 330 K.; DH
142.7	298.15	Ueberreiter and Orthmann, 1950	T = 293 to 368 K. Equation only.; DH
172.0	299.8	Andrews and Haworth, 1928	T = 101 to 336 K. Value is unsmoothed experimental datum.; DH
147.6	298.	Narbutt, 1918	T = 194 to 372 K. Average specific heat over the temperature range 2.6 to 51.6 °C is 0.2400 cal/g*K.; DH

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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, 1984 Platonov, V.A.; Simulin, Yu.N., Experimental determination of the standard enthalpies of formation of polychlorobenzenes. II. Standard enthalpies of formation of dichlorobenzenes, Russ. J. Phys. Chem. (Engl. Transl.), 1984, 58, 1630-1632. [all data]

Dworkin, Figuiere, et al., 1976 Dworkin, A.; Figuiere, P.; Ghelfenstein, M.; Szwarc, H., Heat capacities, enthalpies of transition, and thermodynamic properties of the three solid phases of p-dichlorobenzene from 20 to 330 K, J. Chem. Thermodynam., 1976, 8, 835-844. [all data]

Martin and Monti, 1988 Martin, C.A.; Monti, G.A., Dynamical analysis of the specific heat in p-dichlorobenzene, Thermochim. Acta, 1988, 134, 35-39. [all data]

Ueberreiter and Orthmann, 1950 Ueberreiter, K.; Orthmann, H.-J., Specifische Wärme, spezifisches Volumen, Temperatur- und Wärme-leittähigkeit einiger disubstituierter Benzole und polycyclischer Systeme, Z. Natursforsch. 5a, 1950, 101-108. [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]

Narbutt, 1918 Narbutt, J., Die Spezifischen Warmen und Schmelzwarmen der dichloro-, chlorbrom-, dibrom-, bromjod-, und dijodbenzole. I, Z. Elektrochem., 1918, 24, 339-342. [all data]

Notes

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• Symbols used in this document:

  Cp,solid	Constant pressure heat capacity of solid
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  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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