1,3-Butadiene, 1,1,2,3,4,4-hexafluoro-

• Formula: C₄F₆
• Molecular weight: 162.0332
• IUPAC Standard InChI: InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10 Copy

  
• IUPAC Standard InChIKey: LGPPATCNSOSOQH-UHFFFAOYSA-N Copy
• CAS Registry Number: 685-63-2
• 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: Hexafluoro-1,3-butadiene; Perfluoro-1,3-butadiene; 1,1,2,3,4,4-Hexafluoro-1,3-butadiene; CF2=CFCF=CF2; Perfluorobutadiene-1,3; Hexafluorobutadiene-1,3; 1,1,2,3,4,4-hexafluorobuta-1,3-diene
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Gas phase ion energetics 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₄F₆⁺ (ion structure unspecified)

Ionization energy determinations

IR Spectrum

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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: Coblentz Society, Inc.

Spectrum

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Additional Data

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

UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

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

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

Bobbo, Fedele, et al., 2002
Bobbo, Sergio; Fedele, Laura; Scattolini, Mauro; Camporese, Roberto, Compressed Liquid Densities, Saturated Liquid Densities, and Vapor Pressures of Hexafluoro-1,3-butadiene (C ₄ F ₆ ), J. Chem. Eng. Data, 2002, 47, 2, 179-182, https://doi.org/10.1021/je010194d . [all data]

Brundle and Robin, 1970
Brundle, C.R.; Robin, M.B., Nonplanarity in hexafluorobutadiene as revealed by photoelectron and optical spectroscopy, J. Am. Chem. Soc., 1970, 92, 5550. [all data]

Pottier, et al., 1969
Pottier, R.H., et al., Spectroscopy Letters, 1969, 2, 369. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔvapH	Enthalpy of vaporization

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