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
liquid51.740cal/mol*KN/APace and Hodge, 1972 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
33.210214.0Pace 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, Chris Muzny 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

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
4.5906214.10N/APace and Hodge, 1972P = 101.325 kPa; DH
4.6049214.10N/AHodge, 1971, 2DH
5.00200.AStephenson and Malanowski, 1987Based on data from 161. to 215. K. See also Pace and Hodge, 1972.; AC

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
21.51214.10Pace and Hodge, 1972P; DH
21.51214.10Hodge, 1971, 2DH

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
161.94 to 214.274.21134765.587-32.284Pace and Hodge, 1972Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.164113.69Pace and Hodge, 1972DH
1.164113.69Hodge, 1971, 2DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
10.24113.69Pace and Hodge, 1972DH
10.24113.69Hodge, 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 • C2F4O)

By formula: F- + C2F4O = (F- • C2F4O)

Quantity Value Units Method Reference Comment
Δr45.6 ± 2.0kcal/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
Δr28.cal/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
Δr37.2 ± 2.0kcal/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- • C2F4O)

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

Quantity Value Units Method Reference Comment
Δr35.cal/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
Δr35.cal/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 • C2F4O)

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

Quantity Value Units Method Reference Comment
Δr16.7 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.cal/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
Δr10.1 ± 2.0kcal/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

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, 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]


Notes

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