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
  The 3d structure may be viewed using Java or Javascript.
• 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
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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)

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, isothermal

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

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References

Go To: Top, Phase change data, Henry's Law data, Gas Chromatography, 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]

Krupcík, Leclercq, et al., 1980
Krupcík, J.; Leclercq, P.A.; Garaj, J.; Símová, A., Analysis of alkylated mixtures of polychlorinated biphenyls by capillary gas chromatography-mass spectrometry, J. Chromatogr., 1980, 191, 207-220, https://doi.org/10.1016/S0021-9673(00)86381-5 . [all data]

Krupcik, Leclercq, et al., 1976
Krupcik, J.; Leclercq, P.A.; Símová, A.; Suchánek, P.; Collák, M.; Hrivnák, J., Possibilities and limitations of capillary gas chromatography and mass spectrometry in the analysis of polychlorinated biphenyls, J. Chromatogr., 1976, 119, 271-283, https://doi.org/10.1016/S0021-9673(00)86791-6 . [all data]

Castello and Testini, 1996
Castello, G.; Testini, G., Determination of retention indices of polychlorobiphenyls by using other compounds detectable by electron-capture detection or selected polychlorobiphenyls as the reference series, J. Chromatogr. A, 1996, 741, 2, 241-249, https://doi.org/10.1016/0021-9673(96)00160-4 . [all data]

Ballschmiter and Zell, 1980
Ballschmiter, K.; Zell, M., Analysis of polychlorinated biphenyls (PCB) by glass capillary gas chromatography, Fresenius Z. Anal. Chem., 1980, 302, 1, 20-31, https://doi.org/10.1007/BF00469758 . [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
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization

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