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
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• Information on this page:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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

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, Condensed phase thermochemistry 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.

Kolesov, Ivanov, et al., 1971
Kolesov, V.P.; Ivanov, L.S.; Shtekher, S.M., Standard enthalpy of formation of 2,2,3,3,4,4,4-heptafluorobutanol and the approximate calculation of enthalpies of formation of some fluorinated alcohols, Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 554. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Kolesov and Kozina, 1986
Kolesov, V.P.; Kozina, M.P., Thermochemistry of organic and organohalogen compounds, Russ. Chem. Rev., 1986, 55, 912. [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, Condensed phase thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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