1,1'-Biphenyl, 2,2',5,6'-Tetrachloro-

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

  
• IUPAC Standard InChIKey: SFTUSTXGTCCSHX-UHFFFAOYSA-N Copy
• CAS Registry Number: 41464-41-9
• 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: 2,2',5,6'-Tetrachlorobiphenyl; PCB 53
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• Information on this page:
  • Phase change data
  • Henry's Law data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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)

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

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

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

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]

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]

Wells, Gillespie, et al., 1985
Wells, D.E.; Gillespie, M.J.; Porter, A.E.A., Dichlorobenzyl alkyl ether homologs as retention index markers and internal standards for the analysis of environmental samples using capillary gas chromatography, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 8, 443-449, https://doi.org/10.1002/jhrc.1240080818 . [all data]

Nakano, Tsuji, et al., 1987
Nakano, T.; Tsuji, M.; Okuno, T., Analytical methods for PCB using GC/ECD and GC/MS with capillary column, Report of the Environmental Science Institute of Hyoho Prefecture, 1987, 19, 57-62. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Notes

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