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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
Deltafgas35.98kJ/molReviewChase, 1998Data last reviewed in June, 1969
Quantity Value Units Method Reference Comment
gas,1 bar225.40J/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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 600.600. - 6000.
A 31.4711354.17945
B 54.069415.293262
C -49.18543-1.199989
D 20.802300.090697
E -0.129733-2.509203
F 24.1538112.53409
G 248.6401279.0079
H 35.9820235.98202
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

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
22.4214.AStephenson and Malanowski, 1987Based on data from 201. - 227. K. See also Fawcett and Lipscomb, 1964 and Dykyj, 1970.; AC

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
196.8 - 226.43.84021677.148-50.579Fawcett and Lipscomb, 1964Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
28.9176.AStephenson and Malanowski, 1987Based on data from 147. - 191. K. See also Fawcett and Lipscomb, 1964.; AC
24.4166.N/AStull, 1947Based on data from 139. - 192. K.; AC
29.3168.N/ACosslett, 1931Based on data from 133. - 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)632.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity601.3kJ/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

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   Cxnu     Symmetry Number sigma = 1


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

«sigma»+ 1 CN str 2323  C 2323 gas
«pi» 2 Deform 451  A 451.32 gas
«sigma»+ 3 CF str 1077  A 1076.52 gas

Source: Shimanouchi, 1972

Notes

A0~1 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

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