1,1'-Biphenyl, 3,3',4,4'-tetrachloro-

• Formula: C₁₂H₆Cl₄
• Molecular weight: 291.988
• IUPAC Standard InChI: InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H Copy

  
• IUPAC Standard InChIKey: UQMGJOKDKOLIDP-UHFFFAOYSA-N Copy
• CAS Registry Number: 32598-13-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Biphenyl, 3,3',4,4'-tetrachloro-; 3,3',4,4'-Tetrachlorobiphenyl; 3,4,3',4'-Tetrachlorobiphenyl; 4-CB; TCB; 3,3',4,4'-Tetrachloro-1,1'-biphenyl; PCB 77
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• Information on this page:
  • Phase change data
  • Henry's Law data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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

Enthalpy of sublimation

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)

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

References

Go To: Top, Phase change data, Henry's Law data, Mass spectrum (electron ionization), Notes

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

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]

Nakajoh, Shibata, et al., 2005
Nakajoh, Katsuhiko; Shibata, Etsuro; Todoroki, Tomohiro; Ohara, Atsushi; Nishizawa, Katsushi; Nakamura, Takashi, VAPOR PRESSURE OF TEN POLYCHLORINATED BIPHENYL CONGENERS AND TWO COMMERCIAL FLUIDS AS A FUNCTION OF TEMPERATURE, Environ Toxicol Chem, 2005, 24, 7, 1602, https://doi.org/10.1897/04-381R.1 . [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]

Notes

Go To: Top, Phase change data, Henry's Law data, Mass spectrum (electron ionization), References

• 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
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization

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