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Ethane, 1,1,2,2-tetrachloro-1,2-difluoro-

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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

Quantity Value Units Method Reference Comment
liquid67.741cal/mol*KN/AKishimoto, Suga, et al., 1978 
liquid65.449cal/mol*KN/AKosarukina, Kolesov, et al., 1978Low entropy of fusion indicates possible zero point entropy (disorder).

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
42.684300.Kishimoto, Suga, et al., 1978T = 13 to 310 K.
41.950298.15Kosarukina, Kolesov, et al., 1978T = 12 to 310 K. Complete data deposited at VINITI, No. 3512-77, 20 Aug 1977.
41.49298.Yarrington and Kay, 1957T = 298 to 373 K. Equation only.

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
Tboil365.9KN/APCR Inc., 1990BS
Tboil366.2KN/AWeast and Grasselli, 1989BS
Tboil365.75KN/AYarrington and Kay, 1957, 2Uncertainty assigned by TRC = 0.4 K; TRC
Tboil364.7KN/AMiller and Dittman, 1956Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Ttriple297.91KN/AKishimoto, Suga, et al., 1978, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Ttriple299.70KN/AKosarukina, Kolesov, et al., 1978Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltavap8.32 ± 0.1kcal/molN/AVarushchenko, Druzhinina, et al., 2007Based on data from 313. - 361. K. See also Varushchenko and Bulgakova, 1976.; AC
Deltavap7.82kcal/molN/AHovorka and Geiger, 1933Based on data from 283. - 364. K.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
8.4058366.2N/ASvoboda, Kubes, et al., 1992Value obtained by extrapolation.; DH
8.27 ± 0.02308.CSvoboda, Kubes, et al., 1992AC
8.15 ± 0.02315.CSvoboda, Kubes, et al., 1992AC
8.03 ± 0.02323.CSvoboda, Kubes, et al., 1992AC
7.91 ± 0.02330.CSvoboda, Kubes, et al., 1992AC
7.79 ± 0.02338.CSvoboda, Kubes, et al., 1992AC
8.75316.AStephenson and Malanowski, 1987Based on data from 301. - 365. K.; AC
8.70278.AStephenson and Malanowski, 1987Based on data from 235. - 293. K.; AC
8.13327.AStephenson and Malanowski, 1987Based on data from 312. - 362. K.; AC

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
283. - 364.77.140163501.665125.66Hovorka and Geiger, 1933Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
8.70278.N/AStephenson and Malanowski, 1987Based on data from 235. - 293. K. See also Stull, 1947.; AC
9.13265.AStull, 1947Based on data from 237. - 293. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
0.8762297.91Kishimoto, Suga, et al., 1978DH
0.88351299.70Kosarukina, Kolesov, et al., 1978DH
0.88299.7Acree, 1991See also Kishimoto, Suga, et al., 1978.; AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
2.942297.91Kishimoto, Suga, et al., 1978DH
2.947299.70Kosarukina, Kolesov, et al., 1978DH

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
0.010 VN/A

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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
11.3PEDumas, Dupuis, et al., 1981 
11.6PEDumas, Dupuis, et al., 1981Vertical value

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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-5559
NIST MS number 230277

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedDC-200100.709.Rohrschneider, 1966Column length: 4. m
PackedSqualane100.681.Rohrschneider, 1966Column length: 5. m
PackedApiezon L100.691.Rohrschneider, 1966Column length: 5. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M100.888.Rohrschneider, 1966Column length: 2. m

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

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Column type Active phase I Reference Comment
CapillaryDB-1702.1Helmig, Pollock, et al., 199630. m/0.25 mm/1. «mu»m, 6. K/min; Tstart: -50. C; Tend: 180. C

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

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Column type Active phase I Reference Comment
CapillarySPB-1704.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1694.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
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.704.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M870.Ramsey and Flanagan, 1982Program: not specified

References

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

Kishimoto, Suga, et al., 1978
Kishimoto, K.; Suga, H.; Seki, S., Calorimetri study of the glassy state. XIV. Calorimetric study on unusual glass transition phenomena in CFCl2-CFCl2, Bull. Chem. Soc. Jpn., 1978, 51, 1691-1696. [all data]

Kosarukina, Kolesov, et al., 1978
Kosarukina, E.A.; Kolesov, V.P.; Vorob'ev, V.N.; Vogel, L., The heat capacity of 1,1,2,2-tetrachloro-1,2-difluoroethane in the temperature range 12-310 K, Zhur. Fiz. Khim., 1978, 52, 509. [all data]

Yarrington and Kay, 1957
Yarrington, R.M.; Kay, W.B., The liquid specific heats of some fluorocarbon compounds, J. Phys. Chem., 1957, 61, 1259-1260. [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]

Yarrington and Kay, 1957, 2
Yarrington, R.M.; Kay, W.B., The Liquid Specific Heats of Some Fluorocarbon Compounds, J. Phys. Chem., 1957, 61, 1259. [all data]

Miller and Dittman, 1956
Miller, W.T.; Dittman, A.L., The MEchanism of Fluorination I. Fluorine Sensitized Oxidation of Trichlro- and Tetrachloroethylene, J. Am. Chem. Soc., 1956, 78, 2793-7. [all data]

Kishimoto, Suga, et al., 1978, 2
Kishimoto, K.; Suga, H.; Seki, S., Calorimetric study of the glassy state. XIV. calorimetric study on unusual glass transition pehenomena in CFCl2-CFCl2, Bull. Chem. SOc. Jpn., 1978, 51%, 1691-6. [all data]

Varushchenko, Druzhinina, et al., 2007
Varushchenko, R.M.; Druzhinina, A.I.; Kuramshina, G.M.; Dorofeeva, O.V., Thermodynamics of vaporization of some freons and halogenated ethanes and propanes, Fluid Phase Equilibria, 2007, 256, 1-2, 112-122, https://doi.org/10.1016/j.fluid.2007.02.017 . [all data]

Varushchenko and Bulgakova, 1976
Varushchenko, R.M.; Bulgakova, L.L., Tr. Khim. Khim. Tekhnol., 1976, 3, 29. [all data]

Hovorka and Geiger, 1933
Hovorka, Frank; Geiger, Francis E., Thermodynamic Properties of Trifluorotrichloroethane and Difluorotetrachloroethane, J. Am. Chem. Soc., 1933, 55, 12, 4759-4761, https://doi.org/10.1021/ja01339a004 . [all data]

Svoboda, Kubes, et al., 1992
Svoboda, V.; Kubes, V.; Basarova, P., Enthalpies of vaporization and cohesive energies of 1,1,2,2-tetrachloro-1,2-difluoroethane, 1,2-dibromoethane, 1-bromo-2-chloroethane, 1,3-dibromo-propane, and 1,4-dibromo-2,3-dichloro-1,1,2,3,4,4-hexafluorobutane, J. Chem. Thermodyn., 1992, 24, 555-558. [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]

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]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [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]

Rohrschneider, 1966
Rohrschneider, L., Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten, J. Chromatogr., 1966, 22, 6-22, https://doi.org/10.1016/S0021-9673(01)97064-5 . [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]

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]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [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

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