Chlorotrifluoromethane

• Formula: CClF₃
• Molecular weight: 104.459
• IUPAC Standard InChI: InChI=1S/CClF3/c2-1(3,4)5 Copy

  
• IUPAC Standard InChIKey: AFYPFACVUDMOHA-UHFFFAOYSA-N Copy
• CAS Registry Number: 75-72-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Monochlorotrifluoromethane; Methane, chlorotrifluoro-; Arcton 3; F 13; Freon 13; FC 13; Genetron 13; R 13; Trifluorochloromethane; Trifluoromethyl chloride; Trifluoromonochlorocarbon; CF3Cl; Halocarbon 13/ucon 13; UN 1022; CClF3; Frigen 13; Refrigerant 13; CFC-13; Chlorotrifluromethane; Halocarbon 13; Khladon 13
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • Vibrational and/or electronic energy levels
  • Fluid Properties
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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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.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

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

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IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• GAS (50 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution

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

• gas

Mass spectrum (electron ionization)

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

Spectrum

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Additional Data

Gas Chromatography

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

Normal alkane RI, non-polar column, custom temperature program

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References

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

Zenkevich, Eliseenkov, et al., 2006
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N., Application of Retention Indices in GC-MS Identification of Halogenated Organic Compounds, Mass Spectromery (Rus.), 2006, 3, 2, 131-140. [all data]

Zenkevich and Rodin, 2004
Zenkevich, I.G.; Rodin, A.A., Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices, J. Ecol. Chem. (Rus.), 2004, 13, 1, 22-28. [all data]

Notes

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

• Symbols used in this document:
  

  Pc	Critical pressure
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔvapH	Enthalpy of vaporization
  ρc	Critical density

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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