2,4-Pentanedione, 1,1,1-trifluoro-

• Formula: C₅H₅F₃O₂
• Molecular weight: 154.0872
• IUPAC Standard InChI: InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3 Copy

  
• IUPAC Standard InChIKey: SHXHPUAKLCCLDV-UHFFFAOYSA-N Copy
• CAS Registry Number: 367-57-7
• 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: (Trifluoroacetyl)acetone; 1,1,1-Trifluoro-2,4-pentanedione; 1,1,1-Trifluoroacetylacetone; CF3COH=CHCOCH3; 1,1,1-Trifluoro-2,4-pentadione; Acetyl trifluoroacetone; 1,1,1-trifluoropentane-2,4-dione
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• Information on this page:
  • Gas phase thermochemistry data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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Gas 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

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.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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.

Erastov, Kolesov, et al., 1984
Erastov, P.A.; Kolesov, V.P.; Igumenov, I.K., Standard enthalpies of formation of some fluorinated β-diketones, Russ. J. Phys. Chem. (Engl. Transl.), 1984, 58, 1311-1313. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, IR Spectrum, References

• Symbols used in this document:
  

  ΔfH°gas

  Enthalpy of formation of gas at standard conditions

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