1,3-Butadiene, 1,1,2,3,4,4-hexachloro-

• Formula: C₄Cl₆
• Molecular weight: 260.761
• IUPAC Standard InChI: InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10 Copy

  
• IUPAC Standard InChIKey: RWNKSTSCBHKHTB-UHFFFAOYSA-N Copy
• CAS Registry Number: 87-68-3
• 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: C 46; Hexachloro-1,3-Butadiene; Hexachlorobutadiene; Perchlorobutadiene; 1,1,2,3,4,4-Hexachloro-1,3-butadiene; Hexachlorobutadiene-(1,3); Gp-40-66:120; Hexachlor-1,3-butadien; Hexachlorbutadiene; HCBD; 1,3-Butadiene, hexachloro-; Dolen-pur; 1,3-Hexachlorobutadiene; Rcra waste number U128; UN 2279; Perchloro-1,3-butadiene; Butadiene, hexachloro-; HCB; 1,1,2,3,4,4-Hexachloro-buta-1,3-diene; NSC 3701; hexachlorobuta-1,3-diene
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Henry's Law data
  • Gas Chromatography
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Condensed phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLUTION (10% IN CCl4 FOR 3800-1340, 10% IN CS2 FOR 1340-400 CM^-1); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

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

• gas

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, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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.

Lyubarskii, Rogovtsova, et al., 1975
Lyubarskii, M.V.; Rogovtsova, T.A.; Epstein, G.Z.; Simonsov, V.D., Standard enthalpies of combustion and formation of some chlorine-containing organic compounds, Neftepererab. Neftekhim. (Moscow), 1975, 52. [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]

Geller, Simonov, et al., 1971
Geller, Z.I.; Simonov, V.D.; Lyubarskii, M.V.; Brakhfogel, E.A.; Meizler, L.M.; Paramonov, I.A., Izv. Vyssh. Uchebn. Zaved., Nept. Gaz, 1971, 14, 11, 71. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔvapH	Enthalpy of vaporization

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