Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Chlorotrifluoromethane

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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
Deltafgas-710. ± 30.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
gas,1 bar285.35J/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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. - 600.600. - 6000.
A 10.77116103.9222
B 266.03842.837556
C -298.3581-0.664553
D 126.65470.051336
E -0.003404-5.531122
F -720.5936-755.6764
G 231.1915384.5083
H -707.9328-707.9328
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, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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, Kenneth Kroenlein 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
Tfus92.03KN/AAnonymous, 1968TRC
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 7 values; Individual data points
Quantity Value Units Method Reference Comment
Pc38.85barN/AWeber, 1989Uncertainty assigned by TRC = 0.06 bar; TRC
Pc38.68barN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.10 bar; TRC
Pc38.79barN/AOguchi, Tanishita, et al., 1975Uncertainty assigned by TRC = 0.098 bar; TRC
Pc38.6794barN/AAnonymous, 1968TRC
Quantity Value Units Method Reference Comment
rhoc5.733mol/lN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.005 mol/l; ~; TRC
rhoc5.53mol/lN/AKhodeeva and Gubochkin, 1977Uncertainty assigned by TRC = 0.03 mol/l; TRC
rhoc5.575mol/lN/AOguchi, Tanishita, et al., 1975Uncertainty assigned by TRC = 0.03 mol/l; TRC
rhoc5.55mol/lN/ATsiklis and Prokhorov, 1967Visual in pVT apparatus, Khodeeva and Lebedeva Russ. J. Phys. Chem. 1966, 40, 1668.; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
16.0283.AStephenson and Malanowski, 1987Based on data from 268. - 302. K.; AC
17.0170.AStephenson and Malanowski, 1987Based on data from 133. - 185. K.; AC
15.7231.AStephenson and Malanowski, 1987Based on data from 184. - 246. K.; AC
15.7257.AStephenson and Malanowski, 1987Based on data from 243. - 271. K.; AC
16.8177.AStephenson and Malanowski, 1987Based on data from 145. - 192. K. See also Kudchadker, Kudchadker, et al., 1979.; AC
17.1177.AStull, 1947Based on data from 124. - 191. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
123.7 - 192.03.47599522.061-41.473Stull, 1947Coefficents calculated by NIST from author's data.
192.0 - 325.93.37678500.154-43.532Stull, 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, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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 bullet Chlorotrifluoromethane)

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

Quantity Value Units Method Reference Comment
Deltar221.kJ/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/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
Deltar72.3 ± 1.1kJ/molEqkLord, Goy, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 71.55 ± 0.71 kJ/mol; ALS

bromine chloride + Chlorotrifluoromethane = Bromotrifluoromethane + Chlorine

By formula: BrCl + CClF3 = CBrF3 + Cl2

Quantity Value Units Method Reference Comment
Deltar44.73 ± 0.63kJ/molEqkCoomber and Whittle, 1967gas phase; ALS

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 by: Takehiko Shimanouchi

Symmetry:   C3nu     Symmetry Number sigma = 3


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

a1 1 CF3 s-str 1105  C 1105 VS gas 1106 W p gas
a1 2 CCl str 781  C 781 S gas 781.7 VS p gas
a1 3 CF3 s-deform 476  C 475.8 S p gas
e 4 CF3 d-str 1212  C 1212 VS gas 1217 W dp gas
e 5 CF3 d-deform 563  C 563 M gas 560 W dp gas
e 6 CCl bend 350  C 350 M dp gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
pPolarized
dpDepolarized
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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]

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [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]

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

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References