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
Δfgas-288.70kJ/molReviewChase, 1998Data last reviewed in June, 1970
Δfgas-278. ± 8.8kJ/molCmBaibuz, 1961ALS
Δfgas-268.3 ± 8.4kJ/molCcbWartenberg and Schiefer, 1955Reanalyzed by Cox and Pilcher, 1970, Original value = -280. kJ/mol; ALS
Δfgas-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. to 600.600. to 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, Chris Muzny 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
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/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
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
ρc4.151mol/lN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.004 mol/l; ~; TRC
ρc4.03mol/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
ρc4.03mol/lN/ABenning and McHarness, 1940Uncertainty assigned by TRC = 0.01 mol/l; by extrapolation of rectilinear diameter to critical temp.; TRC

Enthalpy of vaporization

ΔvapH (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. to 301. K.; AC
28.2234.AStephenson and Malanowski, 1987Based on data from 213. to 249. K.; AC
25.6310.AStephenson and Malanowski, 1987Based on data from 295. to 363. K.; AC
24.7372.AStephenson and Malanowski, 1987Based on data from 357. to 429. K.; AC
25.1439.AStephenson and Malanowski, 1987Based on data from 424. to 468. K.; AC
27.3251.N/AKudchadker, Kudchadker, et al., 1979Based on data from 237. to 293. K.; AC
27.1276.N/AOsborne, Garner, et al., 1941Based on data from 237. to 293. K.; AC
25.2290.COsborne, Garner, et al., 1941AC
26.4259.N/ABenning and McHarness, 1940, 2Based on data from 244. to 334. K.; AC

Entropy of vaporization

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

Enthalpy of fusion

ΔfusH (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

ΔfusS (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:


Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.0103100.LN/A 
0.0081 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00993500.XN/A 
0.0112700.MN/A 
0.017740.XN/A 
0.0092 LN/A 
0.0012 MPearson and McConnell, 1975The same data was also published in missing citation. Value at T = 293. K.
0.0082 CN/A 

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, 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:   C     Symmetry Number σ = 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

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, 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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-1470.Helmig, Pollock, et al., 199630. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C
CapillaryDB-5485.Helmig, Pollock, et al., 199660. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB486.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryBP-1482.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryPorapack Q460.Zenkevich and Rodin, 2004Program: not specified
CapillarySPB-1478.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1478.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1484.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryCP Sil 8 CB482.Weller and Wolf, 198940. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillaryOV-1484.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M605.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Vibrational and/or electronic energy levels, 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]

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]

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]

Pearson and McConnell, 1975
Pearson, C.R.; McConnell, G., Chlorinated C1 and C2 Hydrocarbons in the Marine Environment, Proc. R. Soc. London, B, 1975, 189, 305-332. [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]

Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P., Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii, J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212 . [all data]

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [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]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Vibrational and/or electronic energy levels, Gas Chromatography, References