Cyanogen fluoride


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.

Quantity Value Units Method Reference Comment
Δfgas8.599kcal/molReviewChase, 1998Data last reviewed in June, 1969
Quantity Value Units Method Reference Comment
gas,1 bar53.872cal/mol*KReviewChase, 1998Data last reviewed in June, 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. to 600.600. to 6000.
A 7.52178112.94920
B 12.922901.265120
C -11.75560-0.286804
D 4.9718700.021677
E -0.031007-0.599714
F 5.7729002.995720
G 59.4264166.68449
H 8.5999108.599910
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1969 Data last reviewed in June, 1969

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:
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
5.35214.AStephenson and Malanowski, 1987Based on data from 201. to 227. K. See also Fawcett and Lipscomb, 1964 and Dykyj, 1970.; AC

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
196.8 to 226.43.83450677.148-50.579Fawcett and Lipscomb, 1964Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
6.91176.AStephenson and Malanowski, 1987Based on data from 147. to 191. K. See also Fawcett and Lipscomb, 1964.; AC
5.83166.N/AStull, 1947Based on data from 139. to 192. K.; AC
7.00168.N/ACosslett, 1931Based on data from 133. to 203. K.; AC

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
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)13.34 ± 0.02eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)151.kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity143.7kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
3.67294R-AHeni, Illenberger, et al., 1986From CF3NC. G3MP2B3 calculations indicate an EA of ca. 0.3 eV, HOF(FCN-) = -5 kcal/mol; B
>3.9895EIAEHarland, Rankin, et al., 1974From PF2CN; B

Ionization energy determinations

IE (eV) Method Reference Comment
13.2PEAsbrink, Svensson, et al., 1981LLK
13.34 ± 0.02PEBieri, 1977LLK
13.32 ± 0.01PIDibeler and Liston, 1967RDSH
13.65PEAsbrink, Svensson, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+16.35NPIDibeler and Liston, 1967RDSH
CN+19.21 ± 0.02FPIDibeler and Liston, 1967RDSH

References

Go To: Top, Gas phase thermochemistry data, Phase change 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.

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

Fawcett and Lipscomb, 1964
Fawcett, F.S.; Lipscomb, R.D., Cyanogen Fluoride: Synthesis and Properties, J. Am. Chem. Soc., 1964, 86, 13, 2576-2579, https://doi.org/10.1021/ja01067a011 . [all data]

Dykyj, 1970
Dykyj, J., Petrochemica, 1970, 10, 2, 51. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Cosslett, 1931
Cosslett, Vernon Ellis, Darstellung und Eigenschaften von Fluorcyan, Z. Anorg. Allg. Chem., 1931, 201, 1, 75-80, https://doi.org/10.1002/zaac.19312010108 . [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]

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

Harland, Rankin, et al., 1974
Harland, P.W.; Rankin, D.W.H.; Thynne, J.C.J., Ionisation by Electron Impact of Phosphorus Trifluoride and Difluorocyanophosphine, Int. J. Mass Spectrom. Ion Phys., 1974, 13, 4, 295, https://doi.org/10.1016/0020-7381(74)83019-6 . [all data]

Asbrink, Svensson, et al., 1981
Asbrink, L.; Svensson, A.; Von Niessen, W.; Bieri, G., 30.4 nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1981, 24, 293. [all data]

Bieri, 1977
Bieri, G., Cyanogen fluoride: A photoelectron spectroscopic investigation, Chem. Phys. Lett., 1977, 46, 107. [all data]

Dibeler and Liston, 1967
Dibeler, V.H.; Liston, S.K., Mass-spectrometric study of photoionization. VIII.Dicyanogen and the cyanogen halides, J. Chem. Phys., 1967, 47, 4548. [all data]


Notes

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