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trifluoromethyl hypofluorite


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-764.84kJ/molReviewChase, 1998Data last reviewed in December, 1969
Deltafgas-770. ± 10.kJ/molEqkLevy and Kennedy, 1972ALS
Quantity Value Units Method Reference Comment
gas,1 bar322.48J/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 (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. - 1500.1500. - 6000.
A 51.84550130.2910
B 148.9750-0.927615
C -108.77900.201844
D 27.91380-0.014470
E -0.715323-11.61420
F -788.4200-831.9500
G 341.3700440.8210
H -764.8350-764.8350
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1969 Data last reviewed in December, 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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil178.KN/APCR Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
15.5179.AStephenson and Malanowski, 1987The table in Ref. Kellogg and Cady, 1948 gives the temperatures in °C; however, all of the equations and graphs in the article suggest that the temperature should be in Kelvin. We have assumed that the tabulated temperatures are in Kelvin; the results closely correspond to the entry in Ref. Stephenson and Malanowski, 1987.; 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
417.9 - 467.14.01236630.837-293.801Kellogg and Cady, 1948Coefficents calculated by NIST from author's data.

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 by: 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

bis(trifluoromethyl) peroxide = Carbonic difluoride + CF4O

By formula: C2F6O2 = CF2O + CF4O

Quantity Value Units Method Reference Comment
Deltar102.5 ± 2.9kJ/molEqkLevy and Kennedy, 1972gas phase

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 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

Ionization energy determinations

IE (eV) Method Reference Comment
13.0PERobin and Kuebler, 1973LLK
13.6PERobin and Kuebler, 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+41. ± 1.4F+O?EIThynne and MacNeil, 1970RDSH
CF+31.1 ± 0.5?EIThynne and MacNeil, 1970RDSH
COF+20.0 ± 0.3?EIThynne and MacNeil, 1970RDSH
CF2+28.0 ± 0.5?EIThynne and MacNeil, 1970RDSH
COF2+18.4 ± 0.2?EIThynne and MacNeil, 1970RDSH
CF3+14.8 ± 0.2OF?EIThynne and MacNeil, 1970RDSH
COF3+16.1 ± 0.2FEIThynne and MacNeil, 1970RDSH
F+36. ± 1.?EIThynne and MacNeil, 1970RDSH
OF+38. ± 1.?EIThynne and MacNeil, 1970RDSH
O+36. ± 1.?EIThynne and MacNeil, 1970RDSH

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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]

Levy and Kennedy, 1972
Levy, J.B.; Kennedy, R.C., Bistrifluoromethyl peroxide. I. Thermodynamics of the equilibrium with carbonyl fluoride and trifluoromethyl hypofluorite, J. Am. Chem. Soc., 1972, 94, 3302-3305. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [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]

Kellogg and Cady, 1948
Kellogg, K.B.; Cady, George H., Trifluoromethyl Hypofluorite, J. Am. Chem. Soc., 1948, 70, 12, 3986-3990, https://doi.org/10.1021/ja01192a006 . [all data]

Robin and Kuebler, 1973
Robin, M.B.; Kuebler, N.A., Excited electronic states of the simple alcohols, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 13. [all data]

Thynne and MacNeil, 1970
Thynne, J.C.J.; MacNeil, K.A.G., Ionisation and dissociation of carbonyl fluoride and trifluoromethyl hypofluorite by electron impact, Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 95. [all data]


Notes

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