Chlorotrifluoromethane

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-170. ± 6.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
gas,1 bar68.200cal/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 2.57437024.83800
B 63.584700.678192
C -71.30930-0.158832
D 30.271200.012270
E -0.000814-1.321970
F -172.2260-180.6110
G 55.2561091.89969
H -169.2000-169.2000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1969 Data last reviewed in June, 1969

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil191.7KN/APCR Inc., 1990BS
Tboil191.65KN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.05 K; TRC
Tboil191.8KN/AStreng, 1971Uncertainty assigned by TRC = 0.3 K; TRC
Tboil191.8KN/ACroll and Scott, 1964Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tfus92.2KN/AStreng, 1971Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Ttriple92.KN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tc301.8 ± 0.3KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc38.34atmN/AWeber, 1989Uncertainty assigned by TRC = 0.06 atm; TRC
Pc38.17atmN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.099 atm; TRC
Pc38.28atmN/AOguchi, Tanishita, et al., 1975Uncertainty assigned by TRC = 0.097 atm; TRC
Quantity Value Units Method Reference Comment
ρc5.733mol/lN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.005 mol/l; ~; TRC
ρc5.53mol/lN/AKhodeeva and Gubochkin, 1977Uncertainty assigned by TRC = 0.03 mol/l; TRC
ρc5.575mol/lN/AOguchi, Tanishita, et al., 1975Uncertainty assigned by TRC = 0.03 mol/l; TRC
ρc5.55mol/lN/ATsiklis and Prokhorov, 1967Visual in pVT apparatus, Khodeeva and Lebedeva Russ. J. Phys. Chem. 1966, 40, 1668.; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
3.82283.AStephenson and Malanowski, 1987Based on data from 268. to 302. K.; AC
4.06170.AStephenson and Malanowski, 1987Based on data from 133. to 185. K.; AC
3.75231.AStephenson and Malanowski, 1987Based on data from 184. to 246. K.; AC
3.75257.AStephenson and Malanowski, 1987Based on data from 243. to 271. K.; AC
4.02177.AStephenson and Malanowski, 1987Based on data from 145. to 192. K. See also Kudchadker, Kudchadker, et al., 1979.; AC
4.09177.AStull, 1947Based on data from 124. to 191. K.; 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
123.7 to 192.03.47028522.061-41.473Stull, 1947Coefficents calculated by NIST from author's data.
192.0 to 325.93.37107500.154-43.532Stull, 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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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:
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

Methyl cation + Chlorotrifluoromethane = (Methyl cation • Chlorotrifluoromethane)

By formula: CH3+ + CClF3 = (CH3+ • CClF3)

Quantity Value Units Method Reference Comment
Δr52.9kcal/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M

Iodine + Chlorotrifluoromethane = Methane, trifluoroiodo- + Iodine monochloride

By formula: I2 + CClF3 = CF3I + ClI

Quantity Value Units Method Reference Comment
Δr17.27 ± 0.26kcal/molEqkLord, Goy, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 17.10 ± 0.17 kcal/mol; ALS

bromine chloride + Chlorotrifluoromethane = Bromotrifluoromethane + Chlorine

By formula: BrCl + CClF3 = CBrF3 + Cl2

Quantity Value Units Method Reference Comment
Δr10.69 ± 0.15kcal/molEqkCoomber and Whittle, 1967gas phase; ALS

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Chlorotrifluoromethane

Mass Spectrum

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Relative Intensity

Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 20034

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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]

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

Altunin, Geller, et al., 1987
Altunin, V.V.; Geller, V.Z.; Kremenvskaya, E.A.; Perel'shtein, I.I.; Petrov, E.K., Thermophysical Properties of Freons, Methane Ser. Part 2, Vol. 9, NSRDS-USSR, Selover, T. B., Ed., Hemisphere, New York, 1987. [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]

Croll and Scott, 1964
Croll, I.M.; Scott, R.L., Fluorocarbon Solutions at Low Termperatures IV. The Liquid Mixtures CH4 + CClF3, CH2F2 + CClF3, CHF3 + CClF3, CF4 + CClF3, C2H6 + CClF3, C2H6 + CF4, and CHF3 + CF4, J. Phys. Chem., 1964, 68, 3853. [all data]

Weber, 1989
Weber, L.A., Simple Apparatus for Vapor-Liquid Equilibrium Measurements with Data for the Binary Systems of Carbon Dioxide with n-Butane and Isobutane, J. Chem. Eng. Data, 1989, 34, 171. [all data]

Oguchi, Tanishita, et al., 1975
Oguchi, K.; Tanishita, I.; Watanabe, K.; Yamaguchi, T.; Sasayama, A., Experimental Study of P-V-T Properties of Fluorocarbon Refrigerant R 13 (CClF3), (Second Report)., Bull. JSME, 1975, 18, 126, 1456. [all data]

Khodeeva and Gubochkin, 1977
Khodeeva, S.M.; Gubochkin, I.V., The liquid-gas boundary curves in the vicinity of the critical points of Freon-13 and Freon-23 (trifluorochloromethane and trifluoro-methane, Russ. J. Phys. Chem. (Engl. Transl.), 1977, 51, 998. [all data]

Tsiklis and Prokhorov, 1967
Tsiklis, D.S.; Prokhorov, V.M., Phase equilibria in systems containing fluorine compounds, Zh. Fiz. Khim., 1967, 41, 2195-9. [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]

Kudchadker, Kudchadker, et al., 1979
Kudchadker, A.P.; Kudchadker, S.A.; Shukla, R.P.; Patnaik, P.R., Vapor pressures and boiling points of selected halomethanes, J. Phys. Chem. Ref. Data, 1979, 8, 2, 499, https://doi.org/10.1063/1.555600 . [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]

McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]

Lord, Goy, et al., 1967
Lord, A.; Goy, C.A.; Pritchard, H.O., The heats of formation of trifluoromethyl chloride and bromide, J. Phys. Chem., 1967, 71, 2705-2707. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E., Bond dissociation energies from equilibrium studies. Part 3.-D(CF3-Cl), D(C2F5-Cl) and the enthalpy of formation of CF3Cl, Trans. Faraday Soc., 1967, 63, 2656-2667. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References