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Acetonitrile, trifluoro-

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Gas 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-118.40kcal/molReviewChase, 1998Data last reviewed in December, 1969
Deltafgas-111. ± 7.kcal/molKinHeni and Illenberger, 1986ALS
Deltafgas-118.7 ± 0.15kcal/molEqkWalker, Sinke, et al., 1970ALS
Quantity Value Units Method Reference Comment
gas,1 bar71.350cal/mol*KReviewChase, 1998Data last reviewed in December, 1969

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1100.1100. - 6000.
A 10.3380030.78939
B 42.273210.551811
C -34.01840-0.110267
D 10.163600.007567
E -0.132376-2.665459
F -123.5250-134.4100
G 71.9338998.82240
H -118.4000-118.4000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1969 Data last reviewed in December, 1969

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
liquid44.080cal/mol*KN/APace and Bobka, 1961 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
28.229205.Pace and Bobka, 1961T = 15 to 205 K.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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 + Acetonitrile, trifluoro- = (Fluorine anion bullet Acetonitrile, trifluoro-)

By formula: F- + C2F3N = (F- bullet C2F3N)

Quantity Value Units Method Reference Comment
Deltar29.2 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.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
Deltar21.9 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M

3Acetonitrile, trifluoro- + 5Nitrogen trifluoride = 6Tetrafluoromethane + 4Nitrogen

By formula: 3C2F3N + 5F3N = 6CF4 + 4N2

Quantity Value Units Method Reference Comment
Deltar-824.40 ± 0.22kcal/molEqkWalker, Sinke, et al., 1970gas phase; ALS

Cyanogen + Ethane, hexafluoro- = 2Acetonitrile, trifluoro-

By formula: C2N2 + C2F6 = 2C2F3N

Quantity Value Units Method Reference Comment
Deltar10.54 ± 0.14kcal/molEqkWalker, Sinke, et al., 1970gas phase; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Heni and Illenberger, 1986
Heni, M.; Illenberger, E., The isomers CF3NC and CF3CN. Formation and dissociation of the anions formed on electron attachment, Int. J. Mass Spectrom. Ion Phys., 1986, 71, 199-210. [all data]

Walker, Sinke, et al., 1970
Walker, L.C.; Sinke, G.C.; Perettie, D.J.; Janz, G.J., Enthalpy of formation of trifluoroacetonitrile, J. Am. Chem. Soc., 1970, 92, 4525-4526. [all data]

Pace and Bobka, 1961
Pace, E.L.; Bobka, R.J., Thermodynamic properties of trifluoroacetonitrile from 12°K to its boiling point, J. Chem. Phys., 1961, 35, 454-457. [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]

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]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References