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Trichloromonofluoromethane

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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

Quantity Value Units Method Reference Comment
Deltafgas-288.70kJ/molReviewChase, 1998Data last reviewed in June, 1970
Deltafgas-278. ± 8.8kJ/molCmBaibuz, 1961ALS
Deltafgas-268.3 ± 8.4kJ/molCcbWartenberg and Schiefer, 1955Reanalyzed by Cox and Pilcher, 1970, Original value = -280. kJ/mol; ALS
Deltafgas-290. ± 20.kJ/molCmKirkbride and Davidson, 1954Von Wartenberg method; ALS
Quantity Value Units Method Reference Comment
gas,1 bar309.74J/mol*KReviewChase, 1998Data last reviewed in June, 1970

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. - 600.600. - 6000.
A 34.06650106.2694
B 230.43091.245277
C -289.4558-0.292652
D 135.52480.022658
E -0.232263-3.710084
F -307.5847-331.8887
G 292.6202419.8728
H -288.6964-288.6964
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1970 Data last reviewed in June, 1970

Condensed 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 by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid225.60J/mol*KN/AOsborne, Garner, et al., 1941Value for saturated liquid.

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
122.5303.15Wirbser, Brauning, et al., 1992T = 288 to 503 K. p = 0.6 MPa.
121.55298.15Osborne, Garner, et al., 1941T = 15 to 290 K. Value for saturated liquid.
126.7298.15Benning, McHarness, et al., 1940T = 261 to 347 K. Data calculated from equation.

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, Kenneth Kroenlein director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil296.9KN/APCR Inc., 1990BS
Tboil296.8KN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.05 K; TRC
Tboil296.92KN/AAnonymous, 1968TRC
Quantity Value Units Method Reference Comment
Tfus162.KN/AWang, Adcock, et al., 1991Uncertainty assigned by TRC = 2. K; TRC
Tfus162.72KN/AOtt, Woodfield, et al., 1987Uncertainty assigned by TRC = 0.01 K; TRC
Tfus162.7KN/AGuanquan, Ott, et al., 1986Uncertainty assigned by TRC = 0.1 K; TRC
Tfus165.4KN/AMartin, 1982Uncertainty assigned by TRC = 0.2 K; TRC
Tfus162.67KN/AOtt, Goates, et al., 1964Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Ttriple162.6 ± 0.4KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tc471.1KN/AWang, Adcock, et al., 1991Uncertainty assigned by TRC = 0.5 K; TRC
Tc471.15KN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.1 K; TRC
Tc471.15KN/AOkada, Uematsu, et al., 1986Uncertainty assigned by TRC = 0.04 K; Tc selected from literature to correlate density meas.; TRC
Tc471.15KN/AAnonymous, 1968TRC
Tc471.15KN/ABenning and McHarness, 1940Uncertainty assigned by TRC = 0.4 K; by visual observation of the meniscus; TRC
Quantity Value Units Method Reference Comment
Pc44.66barN/AWang, Adcock, et al., 1991Uncertainty assigned by TRC = 0.12 bar; TRC
Pc43.70barN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.50 bar; TRC
Pc44.0573barN/AAnonymous, 1968TRC
Quantity Value Units Method Reference Comment
Vc0.247l/molN/AWang, Adcock, et al., 1991Uncertainty assigned by TRC = 0.006 l/mol; TRC
Quantity Value Units Method Reference Comment
rhoc4.151mol/lN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.004 mol/l; ~; TRC
rhoc4.03mol/lN/AOkada, Uematsu, et al., 1986Uncertainty assigned by TRC = 0.0403 mol/l; Density measured with magnetic densimeter. Tc, Dc selected from literature to correlate density measurements. R11; TRC
rhoc4.03mol/lN/ABenning and McHarness, 1940Uncertainty assigned by TRC = 0.01 mol/l; by extrapolation of rectilinear diameter to critical temp.; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
25.209290.40N/AOsborne, Garner, et al., 1941P = 80.33 kPA.; DH
28.5228.AStephenson and Malanowski, 1987Based on data from 213. - 301. K.; AC
28.2234.AStephenson and Malanowski, 1987Based on data from 213. - 249. K.; AC
25.6310.AStephenson and Malanowski, 1987Based on data from 295. - 363. K.; AC
24.7372.AStephenson and Malanowski, 1987Based on data from 357. - 429. K.; AC
25.1439.AStephenson and Malanowski, 1987Based on data from 424. - 468. K.; AC
27.3251.N/AKudchadker, Kudchadker, et al., 1979Based on data from 237. - 293. K.; AC
27.1276.N/AOsborne, Garner, et al., 1941Based on data from 237. - 293. K.; AC
25.2290.COsborne, Garner, et al., 1941AC
26.4259.N/ABenning and McHarness, 1940, 2Based on data from 244. - 334. K.; AC

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
86.81290.40Osborne, Garner, et al., 1941P; DH

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
236.48 - 293.044.028081051.836-35.287Osborne, Garner, et al., 1941Coefficents calculated by NIST from author's data.
243.50 - 334.304.014471043.303-36.602Benning and McHarness, 1940, 2Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
6.8936162.68Osborne, Garner, et al., 1941DH
6.9162.7Domalski and Hearing, 1996AC
7.900165.4Martin, 1982, 2DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
42.38162.68Osborne, Garner, et al., 1941DH
47.8165.4Martin, 1982, 2DH

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:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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, Condensed phase thermochemistry data, Phase change 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

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Mass spectrum
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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.
Origin KONINKLIJKE/SHELL LAB., AMSTERDAM, THE NETHERLANDS
NIST MS number 34555

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Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 CF str 1085  C 1085 S gas 1090 VW p gas
a1 2 CCl3 s-str 535  C 535 M gas 535 VS p gas
a1 3 CCl3 s-deform 350  C 350 VS gas 349 S p gas
e 4 CCl3 d-deform 847  C 847 VS gas 847 M dp gas
e 5 CF bend 394  C 401 VW gas 394 S dp gas
e 6 CCl3 d-deform 241  C 241 S dp gas

Source: Shimanouchi, 1972

Notes

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

References

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

Baibuz, 1961
Baibuz, V.F., Explosion method and heat of formation of CF4, CFCl, CFCl3, and CCl4, Dokl. Phys. Chem. (Engl. Transl.), 1961, 140, 786-788, In original 1358. [all data]

Wartenberg and Schiefer, 1955
Wartenberg, H.V.; Schiefer, J., Bildungswarmen von fluor-chlor-kohlenstoff-verbindungen, Z. Anorg. Chem., 1955, 278, 326-332. [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]

Kirkbride and Davidson, 1954
Kirkbride, F.W.; Davidson, F.G., Heats of formation of gaseous fluoro- and fluorochloro-carbons, Nature (London), 1954, 174, 79-80. [all data]

Osborne, Garner, et al., 1941
Osborne, D.W.; Garner, C.S.; Doescher, R.N.; Yost, D.M., The heat capacity, entropy, heats of fusion and vaporization and vapor pressure of fluorotrichloromethane, J. Am. Chem. Soc., 1941, 63, 3496-3499. [all data]

Wirbser, Brauning, et al., 1992
Wirbser, H.; Brauning, G.; Ernst, G., Flow-calorimetric specific heat capacities of the refrigerants CFCl3 (R11) and CF2ClCFCl2 (R113) at pressures between 0.6 MPa and 30 MPa and temperatures between 288.15 and 503.15 K, J. Chem. Thermodynam., 1992, 24, 783-784. [all data]

Benning, McHarness, et al., 1940
Benning, A.F.; McHarness, R.C.; Markwood, W.H., Jr.; Smith, W.J., Thermodynamic properties of fluorochloromethanes and -ethanes. Heat capacity of the liquid and vapor of three fluorochloromethanes and trifluorotrichloroethane, Ind. and Eng. Chem., 1940, 32, 976-980. [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]

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

Wang, Adcock, et al., 1991
Wang, B.H.; Adcock, J.L.; Mathur, S.B.; Van Hook, W.A., Vapor pressures, liquid molar volumes, vapor non-idealities, and critical properties of some fluorinated ethers: CF3OCF2OCF3, CF3OCF2CF2H, c-CF2CF2 CF2O, CF3OCF2H, and CF3OCH3; and of CCl3F and CF2CI, J. Chem. Thermodyn., 1991, 23, 699-710. [all data]

Ott, Woodfield, et al., 1987
Ott, J.B.; Woodfield, B.F.; Guanquan, C.; Boerio-Goates, J.; Goates, J.R., (Solid + Liquid) Phase Equilibriain Acetonitrile + Tetrachloromethane, + Trichloromethane, + Trichlorofluoromethane, and + 1,1,1-Trichlorotrifluoromethane, J. Chem. Thermodyn., 1987, 19, 177. [all data]

Guanquan, Ott, et al., 1986
Guanquan, C.; Ott, J.B.; Goates, J.R., (Solid+liquid) phase equilibria and solid-compound formation in 1,2-dimethoxyethane+tetrachloromethane, +trichlorofluoromethane, and +trichloromethane, J. Chem. Thermodyn., 1986, 18, 31. [all data]

Martin, 1982
Martin, C.A., Specific heat anomalies in some organic compounds in Therm. Anal., Proc. Int. Conf., 7th, 2, 1982. [all data]

Ott, Goates, et al., 1964
Ott, J.B.; Goates, J.R.; Mangelson, N.F., Solid compound formation in the ccl(4) mixtures of p-dioxane with ccl(4), cbrcl(3), and cfcl(3): solid-liquid phase equilibria in binary and cfcl(3) systems, J. Chem. Eng. Data, 1964, 9, 203. [all data]

Okada, Uematsu, et al., 1986
Okada, M.; Uematsu, M.; Watanabe, K., Orthobaric liquid densities of trichloro-fluoromethane, dichlorodi-fluoromethane, chlorodifluoromethane, 1,1,2-trichlorotrifluoroethane, 1,2-dichlorotetrafluoroethane, and of the azeotropic mixtur, J. Chem. Thermodyn., 1986, 18, 527. [all data]

Benning and McHarness, 1940
Benning, A.F.; McHarness, R.C., Thermodynamic Properties of Fluorochloromethanes and -Ethanes densities and critical constants of three fluorochloromethanes and trifluorotrichloroethane, Ind. Eng. Chem., 1940, 32, 814. [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]

Benning and McHarness, 1940, 2
Benning, A.F.; McHarness, R.C., Thermodynamic Properties of Fluorochloromethanes and -Ethanes Vapor Pressure of Three Fluorochloromethanes and Trifluorotichloroethane, Ind. Eng. Chem., 1940, 32, 4, 497-499, https://doi.org/10.1021/ie50364a011 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Martin, 1982, 2
Martin, C.A., Specific heat anomalies in some organic compounds, Therm. Anal., Proc. Int. Conf., 7th, 1982, 2, 829-835. [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, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References