2,2,3,3,4,4,4-Heptafluoro-butanol

• Formula: C₄H₃F₇O
• Molecular weight: 200.0548
• IUPAC Standard InChI: InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2 Copy

  
• IUPAC Standard InChIKey: WXJFKAZDSQLPBX-UHFFFAOYSA-N Copy
• CAS Registry Number: 375-01-9
• 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: 2,2,3,3,4,4,4-Heptafluoro-1-butanol; 1H,1H-Heptafluoro-1-butanol; Perfluoro-1,1-dihydrobutanol; 1H,1H-Heptafluorobutanol-1; 1-Butanol, 2,2,3,3,4,4,4-heptafluoro-; α,α-Dihydroperfluorobutanol; Butanol, 2,2,3,3,4,4,4-heptafluoro-; 1,1-Dihydroperfluorobutyl alcohol; 1,1-H,H-Heptafluorobutanol; 1,1-Dihydroperfluorobutanol; NSC 60528; 1,1H-perfluorobutanol; 2,2,3,3,4,4,4-heptafluorobutan-1-ol
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • 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
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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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:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

De-protonation reactions

C₄H₂F₇O^- +  =

By formula: C₄H₂F₇O^- + H⁺ = C₄H₃F₇O

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

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

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

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

Dykyj, 1971
Dykyj, J., Petrochemia, 1971, 11, 2, 27. [all data]

Meeks and Goldfarb, 1967
Meeks, Alan C.; Goldfarb, Ivan J., Vapor pressure of fluoroalcohols, J. Chem. Eng. Data, 1967, 12, 2, 196-196, https://doi.org/10.1021/je60033a010 . [all data]

Meeks and Goldfarb, 1967, 2
Meeks, A.C.; Goldfarb, I.J., Vapor Pressure of Fluoroalcohols, J. Chem. Eng. Data, 1967, 12, 2, 196, https://doi.org/10.1021/je60033a010 . [all data]

Koppel, Molder, et al., 1983
Koppel, I.A.; Molder, U.H.; Pikver, R.J., Photoelectron spectra of molecules. I. Alcohols, Org. React. Tartu, 1983, 20, 45. [all data]

Dawson and Jennings, 1977
Dawson, J.H.J.; Jennings, K.R., Relative gas phase acidities of some fluoroalcohols, Int. J. Mass Spectrom. Ion Phys., 1977, 25, 47. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization

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