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Trifluoroacetyl fluoride

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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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid216.48J/mol*KN/APace and Hodge, 1972 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
138.95214.0Pace and Hodge, 1972T = 14 to 214 K.

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, Kenneth Kroenlein director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil214.KN/APCR Inc., 1990BS
Tboil233.KN/AAnonymous, 1957Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Ttriple113.69KN/APace and Hodge, 1972, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple113.69KN/AHodge, 1971Uncertainty assigned by TRC = 0.05 K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
19.207214.10N/APace and Hodge, 1972P = 101.325 kPa; DH
19.267214.10N/AHodge, 1971, 2DH
20.9200.AStephenson and Malanowski, 1987Based on data from 161. - 215. K. See also Pace and Hodge, 1972.; AC

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
89.99214.10Pace and Hodge, 1972P; DH
89.99214.10Hodge, 1971, 2DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
161.94 - 214.274.21705765.587-32.284Pace and Hodge, 1972Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
4.870113.69Pace and Hodge, 1972DH
4.869113.69Hodge, 1971, 2DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
42.84113.69Pace and Hodge, 1972DH
42.83113.69Hodge, 1971, 2DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Fluorine anion + C2F4O = (Fluorine anion bullet C2F4O)

By formula: F- + C2F4O = (F- bullet C2F4O)

Quantity Value Units Method Reference Comment
Deltar191. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar156. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M

CN- + C2F4O = (CN- bullet C2F4O)

By formula: CN- + C2F4O = (CN- bullet C2F4O)

Quantity Value Units Method Reference Comment
Deltar150.J/mol*KN/ALarson, Szulejko, et al., 1988gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Deltar150.J/mol*KN/ALarson, Szulejko, et al., 1988gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M

Chlorine anion + C2F4O = (Chlorine anion bullet C2F4O)

By formula: Cl- + C2F4O = (Cl- bullet C2F4O)

Quantity Value Units Method Reference Comment
Deltar69.9 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar92.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar42.3 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference
3.0 MN/A
3.0 CN/A

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 by: Edward P. Hunter and Sharon G. Lias

Quantity Value Units Method Reference Comment
Proton affinity (review)668.6kJ/molN/AHunter and Lias, 1998 
Quantity Value Units Method Reference Comment
Gas basicity636.7kJ/molN/AHunter and Lias, 1998 

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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

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

CN- + C2F4O = (CN- bullet C2F4O)

By formula: CN- + C2F4O = (CN- bullet C2F4O)

Quantity Value Units Method Reference Comment
Deltar150.J/mol*KN/ALarson, Szulejko, et al., 1988gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Deltar150.J/mol*KN/ALarson, Szulejko, et al., 1988gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M

Chlorine anion + C2F4O = (Chlorine anion bullet C2F4O)

By formula: Cl- + C2F4O = (Cl- bullet C2F4O)

Quantity Value Units Method Reference Comment
Deltar69.9 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar92.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar42.3 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M

Fluorine anion + C2F4O = (Fluorine anion bullet C2F4O)

By formula: F- + C2F4O = (F- bullet C2F4O)

Quantity Value Units Method Reference Comment
Deltar191. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M
Quantity Value Units Method Reference Comment
Deltar120.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar156. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, NIST Free Links, Notes

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

Pace and Hodge, 1972
Pace, E.L.; Hodge, P.E., Thermodynamic properties of trifluoroacetyl fluoride from 14 K to its boiling temperature, J. Chem. Thermodynam., 1972, 4, 441-447. [all data]

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

Anonymous, 1957
Anonymous, P., , 1957. [all data]

Pace and Hodge, 1972, 2
Pace, E.L.; Hodge, P.E., Thermocynamic Properties of Trifluoroacetyl Fluoride from 14 K to its Boiling Temperature, J. Chem. Thermodyn., 1972, 4, 441-7. [all data]

Hodge, 1971
Hodge, P.E., The thermodynamic properties of trifluoroacetyl fluoride from 14 K to its boiling point and the thermodynamic properties of oxalyl fluoride from 130K to its normal boiling point. molecular data, Ph.D. Dissertation, Case Western Reserve University, Cleve- land, OH, 1971. [all data]

Hodge, 1971, 2
Hodge, P.E., The thermodynamic properties of trifluoroacetyl fluoride from 14 K to its normal boiling point and the thermodynamic properties of oxalyl fluoride from 130K to its normal boiling point. The entropies from spectroscopic and molecular data, Diss. Abstr., 1971, 32, 1482-1483. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B., Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements., J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004 . [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [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

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, NIST Free Links, References