Ethane, 1,1,2,2-tetrachloro-1,2-difluoro-
- Formula: C2Cl4F2
- Molecular weight: 203.830
- IUPAC Standard InChIKey: UGCSPKPEHQEOSR-UHFFFAOYSA-N
- CAS Registry Number: 76-12-0
- 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: s-Tetrachlorodifluoroethane; F-112; Freon R 112; Freon 112; Genetron 112; Tetrachloro-1,2-Difluoroethane; Ucon 112; 1,1,2,2-Tetrachloro-1,2-difluoroethane; 1,2-Difluoro-1,1,2,2-tetrachloroethane; CFCl2CFCl2; 1,1,2,2-Tetrachlorodifluoroethane; Difluorotetrachloroethane; 1,2-Difluorotetrachloroethane; Ethane, 1,2-difluoro-1,1,2,2-tetrachloro-; FC 112; Halocarbon 112; Refrigerant 112; sym-Tetrachlorodifluoroethane; Daiflon 112; R 112; Daiflon S2
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Phase change data
Go To: Top, Mass spectrum (electron ionization), 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 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 |
---|---|---|---|---|---|
Tboil | 365.9 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 366.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 365.75 | K | N/A | Yarrington and Kay, 1957 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tboil | 364.7 | K | N/A | Miller and Dittman, 1956 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 297.91 | K | N/A | Kishimoto, Suga, et al., 1978 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 299.70 | K | N/A | Kosarukina, Kolesov, et al., 1978 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.32 ± 0.1 | kcal/mol | N/A | Varushchenko, Druzhinina, et al., 2007 | Based on data from 313. to 361. K. See also Varushchenko and Bulgakova, 1976.; AC |
ΔvapH° | 7.82 | kcal/mol | N/A | Hovorka and Geiger, 1933 | Based on data from 283. to 364. K.; AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.4058 | 366.2 | N/A | Svoboda, Kubes, et al., 1992 | Value obtained by extrapolation.; DH |
8.27 ± 0.02 | 308. | C | Svoboda, Kubes, et al., 1992 | AC |
8.15 ± 0.02 | 315. | C | Svoboda, Kubes, et al., 1992 | AC |
8.03 ± 0.02 | 323. | C | Svoboda, Kubes, et al., 1992 | AC |
7.91 ± 0.02 | 330. | C | Svoboda, Kubes, et al., 1992 | AC |
7.79 ± 0.02 | 338. | C | Svoboda, Kubes, et al., 1992 | AC |
8.75 | 316. | A | Stephenson and Malanowski, 1987 | Based on data from 301. to 365. K.; AC |
8.70 | 278. | A | Stephenson and Malanowski, 1987 | Based on data from 235. to 293. K.; AC |
8.13 | 327. | A | Stephenson and Malanowski, 1987 | Based on data from 312. to 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. to 364.7 | 7.14016 | 3501.665 | 125.66 | Hovorka and Geiger, 1933 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.70 | 278. | N/A | Stephenson and Malanowski, 1987 | Based on data from 235. to 293. K. See also Stull, 1947.; AC |
9.13 | 265. | A | Stull, 1947 | Based on data from 237. to 293. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.8762 | 297.91 | Kishimoto, Suga, et al., 1978, 2 | DH |
0.88351 | 299.70 | Kosarukina, Kolesov, et al., 1978 | DH |
0.88 | 299.7 | Acree, 1991 | See also Kishimoto, Suga, et al., 1978, 2.; AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.942 | 297.91 | Kishimoto, Suga, et al., 1978, 2 | DH |
2.947 | 299.70 | Kosarukina, Kolesov, et al., 1978 | DH |
Mass spectrum (electron ionization)
Go To: Top, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 |
Gas Chromatography
Go To: Top, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | DC-200 | 100. | 709. | Rohrschneider, 1966 | Column length: 4. m |
Packed | Squalane | 100. | 681. | Rohrschneider, 1966 | Column length: 5. m |
Packed | Apiezon L | 100. | 691. | Rohrschneider, 1966 | Column length: 5. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 100. | 888. | Rohrschneider, 1966 | Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 702.1 | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 704. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | SPB-1 | 694. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 704. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 870. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Phase change data, 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.
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
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
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]
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]
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]
Kishimoto, Suga, et al., 1978, 2
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]
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]
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
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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