1,3-Dichlorotetrafluoroacetone

• Formula: C₃Cl₂F₄O
• Molecular weight: 198.931
• IUPAC Standard InChI: InChI=1S/C3Cl2F4O/c4-2(6,7)1(10)3(5,8)9 Copy

  
• IUPAC Standard InChIKey: QRKKTXWUDLJYCV-UHFFFAOYSA-N Copy
• CAS Registry Number: 127-21-9
• 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: 2-Propanone, 1,3-dichloro-1,1,3,3-tetrafluoro-; sym-Dichlorotetrafluoroacetone; Bis(chlorodifluoromethyl) ketone; DCTFA; Stauffer N-3,412; 1,1,3,3-Tetrafluoro-1,3-dichloroacetone; 1,3-Dichloro-1,1,3,3-tetrafluoroacetone; (CF2Cl)2CO; Dichlorotetrafluoroacetone; 1,3-Dichloro-1,1,3,3-tetrafluoro-2-propanone; 4FK; Acetone, 1,3-dichloro-1,1,3,3-tetrafluoroacetone; NSC 62662
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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
• 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

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

Gas Phase 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, Eugeny B. Stern, Antonina A. Goncharova, 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.

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

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

Gordon and Woolf, 1959
Gordon, J.; Woolf, C., , 1959. [all data]

Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Majer, Olavesen, et al., 1971
Majer, J.R.; Olavesen, C.; Robb, J.C., Wavelength effect in the photolysis of halogenated ketones, J. Chem. Soc. B, 1971, 48. [all data]

Leyland, Majer, et al., 1970
Leyland, L.M.; Majer, J.R.; Robb, J.C., Heat of formation of the CF₂Cl. radical, J. Chem. Soc. Faraday Trans., 1970, 66, 898. [all data]

Bowles, Majer, et al., 1962
Bowles, R.; Majer, J.R.; Robb, J.C., Photodecomposition of halogenated ketones. Part 1. The gas phase photolysis of 1,3-dichlorotetrafluoroacetone, Trans. Faraday Soc., 1962, 58, 1541-1556. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point

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