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1,1,3,3-tetrafluoroacetone


Reaction 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C3HF4O- + Hydrogen cation = 1,1,3,3-tetrafluoroacetone

By formula: C3HF4O- + H+ = C3H2F4O

Quantity Value Units Method Reference Comment
Deltar1429. ± 23.kJ/molG+TSFarid and McMahon, 1980gas phase; Between HCO2H, FCH2CO2H; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1401. ± 23.kJ/molIMRBFarid and McMahon, 1980gas phase; Between HCO2H, FCH2CO2H; value altered from reference due to change in acidity scale; B

Chlorine anion + 1,1,3,3-tetrafluoroacetone = (Chlorine anion bullet 1,1,3,3-tetrafluoroacetone)

By formula: Cl- + C3H2F4O = (Cl- bullet C3H2F4O)

Quantity Value Units Method Reference Comment
Deltar75.7 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)698.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity669.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.7PEYoung and Cheng, 1976LLK
11.33 ± 0.02PEYoung and Cheng, 1976Vertical value; LLK

De-protonation reactions

C3HF4O- + Hydrogen cation = 1,1,3,3-tetrafluoroacetone

By formula: C3HF4O- + H+ = C3H2F4O

Quantity Value Units Method Reference Comment
Deltar1429. ± 23.kJ/molG+TSFarid and McMahon, 1980gas phase; Between HCO2H, FCH2CO2H; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1401. ± 23.kJ/molIMRBFarid and McMahon, 1980gas phase; Between HCO2H, FCH2CO2H; value altered from reference due to change in acidity scale; B

Ion clustering 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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Chlorine anion + 1,1,3,3-tetrafluoroacetone = (Chlorine anion bullet 1,1,3,3-tetrafluoroacetone)

By formula: Cl- + C3H2F4O = (Cl- bullet C3H2F4O)

Quantity Value Units Method Reference Comment
Deltar75.7 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M

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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UVVis spectrum
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Additional Data

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Source Metcalfe and Phillips, 1976
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 17458
Instrument Pye-Unicam SP 1800

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, UV/Visible spectrum, NIST Free Links, Notes

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

Farid and McMahon, 1980
Farid, R.; McMahon, T.B., The gas phase acidities of fluorinated acetones. An ICR investigation of the role of fluorine substituents in the stabilization of planar carbanions, Can. J. Chem., 1980, 58, 2307. [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ion cyclotron resonance halide-exchange equilibria, J. Phys. Chem., 1984, 88, 1083. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Young and Cheng, 1976
Young, V.Y.; Cheng, K.L., The photoelectron spectra of halogen substituted acetones, J. Chem. Phys., 1976, 65, 3187. [all data]

Metcalfe and Phillips, 1976
Metcalfe, J.; Phillips, D., J. Chem. Soc., Faraday Trans. II, 1976, 1574. [all data]


Notes

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