Hexachlorocyclopentadiene

• Formula: C₅Cl₆
• Molecular weight: 272.772
• IUPAC Standard InChI: InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8 Copy

  
• IUPAC Standard InChIKey: VUNCWTMEJYMOOR-UHFFFAOYSA-N Copy
• CAS Registry Number: 77-47-4
• 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: 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-; C 56; Cyclopentadiene, hexachloro-; Graphlox; Hexachloro-1,3-cyclopentadiene; HRS 1655; Perchlorocyclopentadiene; 1,2,3,4,5,5-Hexachloro-1,3-cyclopentadiene; 1,3-Cyclopentadiene, hexachloro-; Hexachlorcyklopentadien; NCI-C55607; Perchloro-1,3-cyclopentadiene; HCCPD; Rcra waste number U130; UN 2646; 1,2,3,4,5,5-Hexachloro-cyclopenta-1,3-diene; NSC 9235
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• Information on this page:
  • Phase change data
  • Henry's Law data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • IR Spectrum
  • 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

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

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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Lee's RI, non-polar column, temperature ramp

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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.

Lyubarskii and Smolyanets, 1977
Lyubarskii, M.V.; Smolyanets, R.I., Enthalpies of combustion and formation of five-membered cyclic perchlorohydrocarbons, Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 119-121. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Bondi, 1963
Bondi, A., Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments., J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027 . [all data]

Ungnade and McBee, 1958
Ungnade, H.E.; McBee, E.T., The Chemistry Of Perchlorocyclopentenes And Cyclopentadienes, Chem. Rev., 1958, 58, 2, 249-320, https://doi.org/10.1021/cr50020a003 . [all data]

Dearth and Hites, 1991
Dearth, M.A.; Hites, R.A., Complete analysis of technical chlordane using negative ionization mass spectrometry, Environ. Sci. Technol., 1991, 25, 2, 245-254, https://doi.org/10.1021/es00014a005 . [all data]

Harland, Cumming, et al., 1986
Harland, B.J.; Cumming, R.I.; Gillings, E., The Kovats indexes of some organic micropollutants on an SE54 capillary column, EUR, I Org. Micropollut. Aquat. Environ., 1986, EUR 10388, 123-127. [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]

Donnelly, Abdel-Hamid, et al., 1993
Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F., Application of gas chromatographic retention properties to the identification of environmental contaminants, J. Chromatogr., 1993, 642, 1-2, 409-415, https://doi.org/10.1016/0021-9673(93)80106-I . [all data]

Notes

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

• Symbols used in this document:
  

  Tboil	Boiling point
  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
  ΔvapH°	Enthalpy of vaporization at standard conditions

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