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chlorine fluoride

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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.

Quantity Value Units Method Reference Comment
Deltafgas-50.29kJ/molReviewChase, 1998Data last reviewed in June, 1977
Quantity Value Units Method Reference Comment
gas,1 bar217.91J/mol*KReviewChase, 1998Data last reviewed in June, 1977

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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View table.

Temperature (K) 298. - 2300.2300. - 6000.
A 33.00963400.6418
B 7.780901-226.2720
C -4.38914249.98708
D 0.894945-3.436085
E -0.258478-341.4424
F -61.31694-626.3866
G 254.2747327.8775
H -50.29210-50.29210
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1977 Data last reviewed in June, 1977

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director

Quantity Value Units Method Reference Comment
Tboil173.1KN/AStreng, 1971Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tfus117.6KN/AStreng, 1971Uncertainty assigned by TRC = 0.3 K; TRC

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
129.8 - 172.76.03113983.517-9.791Stull, 1947Coefficents calculated by NIST from author's data.

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:


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:
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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

View reactions leading to ClF+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)12.66 ± 0.01eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
>1.50 ± 0.20EIAEIllenberger, Baumgartel, et al., 1979From CFCl3; B
>1.50 ± 0.40EIAEThynne, 1972From SF5Cl; B
2.86 ± 0.20EIAEDudin, Gorokhov, et al., 1979From ClF3; B
1.50 ± 0.30NBIEDispert and Lacmann, 1978From CF2Cl2; G3MP2B3 calculations indicate an EA of ca. 2.1 eV; B

Ionization energy determinations

IE (eV) Method Reference Comment
12.74 ± 0.01PEDeKock, Higginson, et al., 1972LLK
12.66 ± 0.01PEDeKock, Higginson, et al., 1972LLK
12.74 ± 0.01PEAnderson, Mamantov, et al., 1971LLK
12.66 ± 0.01PEAnderson, Mamantov, et al., 1971LLK
12.65 ± 0.01PIDibeler, Walker, et al., 1970RDSH
12.7 ± 0.3EIIrsa and Friedman, 1958RDSH
12.77PEDyke, Josland, et al., 1984Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Cl+12.04F-PIDibeler, Walker, et al., 1970RDSH
Cl+15.50 ± 0.04FPIDibeler, Walker, et al., 1970RDSH

References

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

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

Streng, 1971
Streng, A.G., Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature, J. Chem. Eng. Data, 1971, 16, 357. [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]

Illenberger, Baumgartel, et al., 1979
Illenberger, T.; Baumgartel, H.; Scheunemann, H., Negative Ion Formation in CF2Cl2, CF3Cl, and CFCl3 Following Low Energy (0-10eV) Impact with Near Monoenergetic Electrons, Chem. Phys., 1979, 37, 1, 21, https://doi.org/10.1016/0301-0104(79)80003-8 . [all data]

Thynne, 1972
Thynne, J.C.J., Negative Ion Studies with a Time-of-Flight Mass Spectrometer., Dyn. Mass Spectrom., 1972, 3, 67. [all data]

Dudin, Gorokhov, et al., 1979
Dudin, A.V.; Gorokhov, L.N.; Baluev, A.V., A Study of the Electron Impact Ionization of Chlorine Trifluoride and Its Decomposition Products by Mass Spectrometry, Izv. Akad. Nauk SSR Ser. Khim. 2408, 1979. [all data]

Dispert and Lacmann, 1978
Dispert, H.; Lacmann, K., Negative ion formation in collisions between potassium and fluoro- and chloromethanes: Electron affinities and bond dissociation energies, Int. J. Mass Spectrom. Ion Phys., 1978, 28, 49. [all data]

DeKock, Higginson, et al., 1972
DeKock, R.L.; Higginson, B.R.; Lloyd, D.R.; Breeze, A.; Cruickshank, D.W.J.; Armstrong, D.R., Photoelectron spectra of halides. V. Experimental theoretical study of the electronic structures of ClF, ClF3, BrF and BrF3, Mol. Phys., 1972, 24, 1059. [all data]

Anderson, Mamantov, et al., 1971
Anderson, C.P.; Mamantov, G.; Bull, W.E.; Grimm, F.A.; Carver, J.C.; Carlson, T.A., Photoelectron spectrum of chlorine monofluoride, Chem. Phys. Lett., 1971, 12, 137. [all data]

Dibeler, Walker, et al., 1970
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E., Photoionization study of chlorine monofluoride and the dissociation energy of fluorine, J. Chem. Phys., 1970, 53, 4414. [all data]

Irsa and Friedman, 1958
Irsa, A.P.; Friedman, L., Mass spectra of halogen fluorides, J. Inorg. Nucl. Chem., 1958, 6, 77. [all data]

Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M., Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations, Chem. Phys., 1984, 91, 419. [all data]


Notes

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