Benzene, 1,2-dichloro-

• Formula: C₆H₄Cl₂
• Molecular weight: 147.002
• IUPAC Standard InChI: InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H Copy

  
• IUPAC Standard InChIKey: RFFLAFLAYFXFSW-UHFFFAOYSA-N Copy
• CAS Registry Number: 95-50-1
• 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.
• Isotopologues:
  • 1,2-Dichlorobenzene-D4
• Other names: Benzene, o-dichloro-; o-Dichlorobenzene; Cloroben; Dilantin DB; Dowtherm E; 1,2-Dichlorbenzene; 1,2-Dichlorobenzene; Chloroben; o-Dichlorobenzol; Dilatin db; ortho-Dichlorobenzene; o-Dichlorbenzene; o-Dichlorbenzol; Dichlorobenzene, o-; Dizene; DCB; NCI-C54944; ODB; ODCB; Special termite fluid; Termitkil; Chloroden; Dichlorobenzene, ortho; Orthodichlorobenzol; UN 1591; NSC 60644
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Constant pressure heat capacity of liquid

Reaction 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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₆H₃Cl₂^- +  =

By formula: C₆H₃Cl₂^- + H⁺ = C₆H₄Cl₂

=

By formula: C₆H₄Cl₂ = C₆H₄Cl₂

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

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]

Sinke and Stull, 1958
Sinke, G.C.; Stull, D.R., Heats of combustion of some organic compounds containing chlorine, J. Phys. Chem., 1958, 62, 397-401. [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]

Bjellerup and Smith, 1954
Bjellerup, L.; Smith, L., Heats of combustion of some organic chloro-compounds, Kgl. Fysiograph. Sallskap. Lund Forh., 1954, 24, 1-13. [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]

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]

Schlosser, Marzi, et al., 2001
Schlosser, M.; Marzi, E.; Cottet, F.; Buker, H.H.; Nibbering, N.M.M., The acidity of chloro-substituted benzenes: A comparison of gas phase, ab initio, and kinetic data, Chem. Eur. J., 2001, 7, 16, 3511-3516, https://doi.org/10.1002/1521-3765(20010817)7:16<3511::AID-CHEM3511>3.0.CO;2-U . [all data]

Godnev and Sverdlin, 1961
Godnev, I.N.; Sverdlin, A.S., Equilibrium and dichlorobenzene isomer (Corrections), Russ. J. Phys. Chem. (Engl. Transl.), 1961, 35, 231-232. [all data]

Notes

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• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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