trifluoroacetaldehyde

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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 by: John E. Bartmess

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

C2F3O- + Hydrogen cation = C2HF3O

By formula: C2F3O- + H+ = C2HF3O

Quantity Value Units Method Reference Comment
Δr>387.8 ± 4.0kcal/molD-EAHarland and Thynne, 1970gas phase; From (CF3)2CO. Values unreasonable: ΔHf(CF3CO-)must be less than ΔHf(CF3-+CO)=-181. G3MP2B3 EA = 1.6 eV
Quantity Value Units Method Reference Comment
Δr>380.0 ± 4.1kcal/molH-TSHarland and Thynne, 1970gas phase; From (CF3)2CO. Values unreasonable: ΔHf(CF3CO-)must be less than ΔHf(CF3-+CO)=-181. G3MP2B3 EA = 1.6 eV

(CAS Reg. No. 24265-37-0 • 4294967295C2HF3O) + C2HF3O = CAS Reg. No. 24265-37-0

By formula: (CAS Reg. No. 24265-37-0 • 4294967295C2HF3O) + C2HF3O = CAS Reg. No. 24265-37-0

Quantity Value Units Method Reference Comment
Δr63.9 ± 2.8kcal/molN/ABartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

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

Quantity Value Units Method Reference Comment
Proton affinity (review)163.8kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity156.2kcal/molN/AHunter and Lias, 1998HL

De-protonation reactions

C2F3O- + Hydrogen cation = C2HF3O

By formula: C2F3O- + H+ = C2HF3O

Quantity Value Units Method Reference Comment
Δr>387.8 ± 4.0kcal/molD-EAHarland and Thynne, 1970gas phase; From (CF3)2CO. Values unreasonable: ΔHf(CF3CO-)must be less than ΔHf(CF3-+CO)=-181. G3MP2B3 EA = 1.6 eV; B
Quantity Value Units Method Reference Comment
Δr>380.0 ± 4.1kcal/molH-TSHarland and Thynne, 1970gas phase; From (CF3)2CO. Values unreasonable: ΔHf(CF3CO-)must be less than ΔHf(CF3-+CO)=-181. G3MP2B3 EA = 1.6 eV; B

References

Go To: Top, Reaction 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.

Harland and Thynne, 1970
Harland, P.; Thynne, J.C.J., Positive and negative ion formation in hexafluoroacetone by electron impact, J. Phys. Chem., 1970, 74, 52. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [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]


Notes

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