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Ethane, 1,1,1-trichloro-2,2,2-trifluoro-

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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

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
40.30298.16Svoboda, Vesely, et al., 1988T = 298.15 to 318.15 K. Cp(J/mol*K) = 109.0 + 0.200 (T/K) (298 to 318 K).

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil318.8KN/APCR Inc., 1990BS
Tboil319.0KN/AWeast and Grasselli, 1989BS
Tboil319.2KN/AMajer and Svoboda, 1985 
Tboil319.KN/ACuculo and Bigelow, 1952Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Tfus287.52KN/AOtt, Woodfield, et al., 1987Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Tfus287.KN/ACuculo and Bigelow, 1952Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Ttriple287.52KN/AOtt, Woodfield, et al., 1987Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Tc482.9KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Deltavap6.769kcal/molN/AMajer and Svoboda, 1985 
Deltavap6.98kcal/molAStephenson and Malanowski, 1987Based on data from 286. - 310. K. See also Hiraoka and Hildebrand, 1963.; AC
Deltavap6.72 ± 0.02kcal/molCMajer, Svoboda, et al., 1980AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
6.417319.2N/AMajer and Svoboda, 1985 
6.50 ± 0.02313.CMajer, Svoboda, et al., 1980AC
6.29 ± 0.02328.CMajer, Svoboda, et al., 1980AC
6.91308.N/AMajer, Svoboda, et al., 1980Based on data from 297. - 319. K.; AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) beta Tc (K) Reference Comment
298. - 328.10.30.2743482.9Majer and Svoboda, 1985 

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
287.20 - 309.201.62646220.322-184.841Hiraoka and Hildebrand, 1963Coefficents calculated by NIST from author's data.
247.67 - 352.404.005201112.774-42.983Riedel, 1938Coefficents calculated by NIST from author's data.

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
148.crystaline, II, Solidcrystaline, I, plastic crystalOtt, Woodfield, et al., 1987, 2DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.9823287.52crystaline, IliquidOtt, Woodfield, et al., 1987, 2DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
3.3287.52crystaline, IliquidOtt, Woodfield, et al., 1987, 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:


Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
11.5PEDumas, Dupuis, et al., 1981LLK
11.78 ± 0.03PIWatanabe, Nakayama, et al., 1962RDSH
11.8PEDumas, Dupuis, et al., 1981Vertical value; LLK

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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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 Japan AIST/NIMC Database- Spectrum MS-NW-9291
NIST MS number 236525

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.


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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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes520.Zenkevich, Eliseenkov, et al., 2006Program: not specified
CapillarySPB-1527.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1525.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1530.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Svoboda, Vesely, et al., 1988
Svoboda, V.; Vesely, F.; Hynek, V.; Chvatal, Z., Molar heat capacities of 1,1,1-trichlorotrifluoroethane, 1,4-dibromo-2,3-dichlorohexafluorobutane, and 1,6-dibromo-2,3,5-trichlorononafluorohexane, J. Chem. Thermodynam., 1988, 20, 639-640. [all data]

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Cuculo and Bigelow, 1952
Cuculo, J.A.; Bigelow, L.A., The Action of elementary Fluorine upon Organic Compounds. XVII. The Direct Fluorination of Acetonitrile, J. Am. Chem. Soc., 1952, 74, 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]

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]

Hiraoka and Hildebrand, 1963
Hiraoka, H.; Hildebrand, J.H., SOLUBILITY RELATIONS OF THE ISOMERIC TRICHLOROTRIFLUOROETHANES, J. Phys. Chem., 1963, 67, 4, 916-918, https://doi.org/10.1021/j100798a049 . [all data]

Majer, Svoboda, et al., 1980
Majer, Vladimír; Svoboda, Václav; Posta, Antonín; Pick, Jirí, Determination of heats of vaporization and some other thermodynamic quantities for several fluorinated halogen derivatives of ethane and propane, Collect. Czech. Chem. Commun., 1980, 45, 11, 3063-3068, https://doi.org/10.1135/cccc19803063 . [all data]

Riedel, 1938
Riedel, L., Bestimmung der thermischen Eigenschaften von Trifluor-Trichlorathan, Z. Gesamte Kaelte Ind., 1938, 45, 221-227. [all data]

Ott, Woodfield, et al., 1987, 2
Ott, J.B.; Woodfield, B.F.; Guanquan, C.; Boerio-Goates, J., and Goates, J.R. (Solid + liquid) phase equilibria in acetonitrile + tetrachloromethane, + trichloromethane, + trichlorofluoromethane, and +1,1,1-trichlorotrifluoroethane, J. Chem. Thermodynam., 1987, 19, 177-184. [all data]

Dumas, Dupuis, et al., 1981
Dumas, J.-M.; Dupuis, P.; Pfister-Guillouzo, G.; Sandorfy, C., Ionization potentials and ultraviolet absorption spectra of fluorocarbon anesthetics, Can. J. Spectrosc., 1981, 26, 102. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [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]

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]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References