1,1'-Biphenyl, 3,3'-dichloro-

• Formula: C₁₂H₈Cl₂
• Molecular weight: 223.098
• IUPAC Standard InChI: InChI=1S/C12H8Cl2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H Copy

  
• IUPAC Standard InChIKey: KTXUOWUHFLBZPW-UHFFFAOYSA-N Copy
• CAS Registry Number: 2050-67-1
• 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.
• Other names: Biphenyl, 3,3'-dichloro-; m,m'-Dichlorobiphenyl; 3,3'-Dichlorobiphenyl; 3,3'-Dichlorodiphenyl; PCB 11
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• Information on this page:
  • Phase change data
  • Henry's Law data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Phase change 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: William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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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.

Puri, Chickos, et al., 2001
Puri, Swati; Chickos, James S.; Welsh, William J., Determination of Vaporization Enthalpies of Polychlorinated Biphenyls by Correlation Gas Chromatography, Anal. Chem., 2001, 73, 7, 1480-1484, https://doi.org/10.1021/ac001246p . [all data]

Falconer and Bidleman, 1994
Falconer, Renee L.; Bidleman, Terry F., Vapor pressures and predicted particle/gas distributions of polychlorinated biphenyl congeners as functions of temperature and ortho-chlorine substitution, Atmospheric Environment, 1994, 28, 3, 547-554, https://doi.org/10.1016/1352-2310(94)90130-9 . [all data]

Dunnivant, Coates, et al., 1988
Dunnivant, F.M.; Coates, J.T.; Elzerman, A.W., Experimentally Determined Henry's Law Constants for 17 Polychlorobiphenyl Congeners, Environ. Sci. Technol., 1988, 22, 448-453. [all data]

Burkhard, Armstrong, et al., 1985
Burkhard, L.P.; Armstrong, D.E.; Andren, A.W., Henry's Law Constants for the Polychlorinated Biphenyls, Environ. Sci. Technol., 1985, 19, 590-596. [all data]

Albro, Haseman, et al., 1977
Albro, P.W.; Haseman, J.K.; Clemmer, T.A.; Corbett, B.J., Identification of the Individual Polychlorinated Biphenyls in a Mixture by Gas-Liquid Chromatography, J. Chromatogr., 1977, 136, 1, 147-153, https://doi.org/10.1016/S0021-9673(00)83003-4 . [all data]

Kozloski, 1985
Kozloski, R.P., Polychlorinated biphenyl retention time standards obtained by chemical dechlorination of polychlorinated biphenyl isomers, J. Chromatogr., 1985, 318, 211-219, https://doi.org/10.1016/S0021-9673(01)90682-X . [all data]

Zenkevich, Moeder, et al., 2004
Zenkevich, I.G.; Moeder, M.; Koeller, G.; Schrader, S., Using new structurally related additive schemes in the precalculation of gas chromatographic retention indices of polychlorinated hydroxybiphenyls on HP-5 stationary phase, J. Chromatogr. A, 2004, 1025, 2, 227-236, https://doi.org/10.1016/j.chroma.2003.10.106 . [all data]

Bush, Murphy, et al., 1985
Bush, B.; Murphy, M.J.; Connor, S.; Snow, J.; Barnard, E., Improvements in Glass Capillary Gas Chromatographic Polychlorobiphenyl Analysis, J. Chromatogr. Sci., 1985, 23, 11, 509-515, https://doi.org/10.1093/chromsci/23.11.509 . [all data]

Notes

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• Symbols used in this document:
  

  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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