Ethane, 1,2-dichloro-1,1,2,2-tetrafluoro-
- Formula: C2Cl2F4
- Molecular weight: 170.921
- IUPAC Standard InChIKey: DDMOUSALMHHKOS-UHFFFAOYSA-N
- CAS Registry Number: 76-14-2
- 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: Ethane, 1,2-dichlorotetrafluoro-; s-Dichlorotetrafluoroethane; Arcton 114; Arcton 33; Cryofluoran; Cryofluorane; F 114; Fluorocarbon 114; Freon 114; Frigen 114; Frigiderm; FC 114; Genetron 114; Genetron 316; Ledon 114; Propellant 114; R 114; Ucon 114; 1,1,2,2-Tetrafluoro-1,2-Dichloroethane; 1,2-Dichloro-1,1,2,2-tetrafluoroethane; (CF2Cl)2; 1,2-Dichlorotetrafluoroethane; Fluorane 114; Isotron 114; Refrigerant 114; sym-Dichlorotetrafluoroethane; Halocarbon 114; Halon 242; CFC-114; Dichloro-1,1,2,2-tetrafluoroethane; Refrigerant R114; F 114 (halocarbon); FKW 114; R 114 (halocarbon)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -223.9 ± 1.7 | kcal/mol | Ccr | Erastov and Kolesov, 1986 | Correction of Papina and Kolesov, 1982 |
ΔfH°gas | -221. ± 3. | kcal/mol | Cm | Kirkbride and Davidson, 1954 | Reanalyzed by Kolesov and Papina, 1983, Original value = -213. ± 3. kcal/mol; Von Wartenberg method |
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -229.5 ± 1.7 | kcal/mol | Ccr | Erastov and Kolesov, 1986 | Correction of Papina and Kolesov, 1982; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -141.0 ± 1.6 | kcal/mol | Ccr | Erastov and Kolesov, 1986 | Correction of Papina and Kolesov, 1982; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 67.40 | cal/mol*K | N/A | Kolesov, Kosarukina, et al., 1981 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
39.20 | 298.15 | Kolesov, Kosarukina, et al., 1981 | T = 8 to 300 K.; DH |
40.61 | 293.3 | Perlick, 1937 | T = -188 to 20°C. Value is unsmoothed experimental datum.; DH |
40.61 | 293.3 | Perlick, 1937, 2 | T = -188 to 20°C. Value is unsmoothed experimental datum.; DH |
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 276.9 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 275.44 | K | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tboil | 277.3 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 179. | K | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 1.5 K; TRC |
Ttriple | 180.62 | K | N/A | Kolesov, Kosarukina, et al., 1981, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 418.85 | K | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tc | 418.85 | K | N/A | Okada, Uematsu, et al., 1986 | Uncertainty assigned by TRC = 0.04 K; Tc selected from literature to correlate density measurement; TRC |
Tc | 418.9 | K | N/A | Martin, 1960 | Uncertainty assigned by TRC = 0.33 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 33.49 | atm | N/A | Krauss and Stephan, 1989 | Uncertainty assigned by TRC = 0.00006 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.404 | mol/l | N/A | Okada, Uematsu, et al., 1986 | Uncertainty assigned by TRC = 0.0034 mol/l; Density measured with magnetic densimeter. Tc, Dc selected from literature to correlate density measurements. R114, contained 0.05% 1,1-isomer; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 5.54 ± 0.1 | kcal/mol | E | Erastov and Kolesov, 1986 | Correction of Papina and Kolesov, 1982; ALS |
ΔvapH° | 5.60 ± 0.10 | kcal/mol | C | Perlick, 1937 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.81 | 292. | A | Stephenson and Malanowski, 1987 | Based on data from 277. to 391. K.; AC |
6.00 | 262. | A | Stephenson and Malanowski, 1987 | Based on data from 210. to 277. K.; AC |
6.05 | 261. | N/A | Stull, 1947 | Based on data from 178. to 277. 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 |
---|---|---|---|---|---|
177.8 to 276.7 | 3.99003 | 942.336 | -40.518 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
276.7 to 414.1 | 4.14591 | 1031.026 | -27.911 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.361 | 180.6 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.2897 | 109.3 | crystaline, III | crystaline, II | Kolesov, Kosarukina, et al., 1981 | DH |
0.6281 | 134.6 | crystaline, II | crystaline, I | Kolesov, Kosarukina, et al., 1981 | DH |
0.3609 | 180.62 | crystaline, I | liquid | Kolesov, Kosarukina, et al., 1981 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.651 | 109.3 | crystaline, III | crystaline, II | Kolesov, Kosarukina, et al., 1981 | DH |
4.66 | 134.6 | crystaline, II | crystaline, I | Kolesov, Kosarukina, et al., 1981 | DH |
2.00 | 180.62 | crystaline, I | liquid | Kolesov, Kosarukina, et al., 1981 | DH |
Reaction 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: C2F4 + Cl2 = C2Cl2F4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -57.32 ± 0.20 | kcal/mol | Cm | Lacher, McKinley, et al., 1949 | gas phase; Chlorination at 90 C |
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 |
---|---|---|---|
12.47 | PE | Chau and McDowell, 1976 | Vertical value; LLK |
12.85 | PE | Doucet, Sauvageau, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF2Cl+ | 12.33 | ? | EI | Leyland, Majer, et al., 1970 | RDSH |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (6.5 mmHg DILUTED TO A TOTAL PRESSURE OF 600 mmHg WITH N2); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- GAS (6.5 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
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, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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
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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. |
---|---|
NIST MS number | 6721 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Erastov and Kolesov, 1986
Erastov, P.A.; Kolesov, V.P.,
The energy of combustion of liquid 1,2-dichlorotetrafluoroethane,
Thermochim. Acta, 1986, 109, 175-180. [all data]
Papina and Kolesov, 1982
Papina, T.S.; Kolesov, V.P.,
Standard enthalpy of formation of 1,2-dichlorotetrafluoroethane,
Petro. Chem. USSR, 1982, 56, 675-677, In original 1108. [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]
Kolesov and Papina, 1983
Kolesov, V.P.; Papina, T.S.,
Thermochemistry of Haloethanes,
Russ. Chem. Rev., 1983, 52, 425. [all data]
Kolesov, Kosarukina, et al., 1981
Kolesov, V.P.; Kosarukina, E.A.; Zhogin, D.Yu.; Poloznikova, M.E.; Pentin, Yu.A.,
Heat capacities, phase transitions, and thermodynamic functions of 1,1,2,2,-tetrafluoro-1,2-dichloroethane and 1,1,3-trifluoro-1,2,2-trichloroethane,
J. Chem. Thermodynam., 1981, 13, 115-129. [all data]
Perlick, 1937
Perlick, A.,
Calorimetric investigations on dichloromethane, difluoromonochloroethane and tetrafluorodichloroethane,
Bull. Int. Inst. Refrig., 1937, 18, 1-9. [all data]
Perlick, 1937, 2
Perlick, A.,
Kalorimetrische Messungen an Schwefeldioxyd, Methylenchlorid, Difluormonochloraethan und Tetrafluordichloraethan,
Z. ges. Kalt-Ind., 1937, 44, 201-206. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Krauss and Stephan, 1989
Krauss, R.; Stephan, K.,
Thermal Conductivity of Refrigerants in a Wide Range of Temperature and Pressure,
J. Phys. Chem. Ref. Data, 1989, 18, 43. [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]
Kolesov, Kosarukina, et al., 1981, 2
Kolesov, V.P.; Kosarukina, E.A.; Zhogin, D.Yu.; Poloznikova, M.E.; Pentin, Y.A.,
Heat capacities, phase transitions, and thermodynamic functions of 1,1,2,2-tetrafluoro-1,2-dichloroethane and 1,1,2-trifluoro- 1,2,2-trichloroethane,
J. Chem. Thermodyn., 1981, 13, 115. [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]
Martin, 1960
Martin, J.J.,
Thermodynamic Properties of Dichlorotetrafluoroethane,
J. Chem. Eng. Data, 1960, 5, 334-336. [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]
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]
Lacher, McKinley, et al., 1949
Lacher, J.R.; McKinley, J.J.; Snow, C.M.; Michel, L.; Nelson, G.; Park, J.D.,
Reaction heats of organic fluorine compounds. I. Apparatus and the heat of chlorination of tetrafluoroethylene,
J. Am. Chem. Soc., 1949, 71, 1330-1334. [all data]
Chau and McDowell, 1976
Chau, F.T.; McDowell, C.A.,
Photoelectron spectra of 1,2-dibromo-1,1-difluoroethane, 1,2-bromochloroethane, and 1,2-dichloro-, 1,2-dibromo-, and 1,2-diiodotetrafluoroethane,
J. Phys. Chem., 1976, 80, 2923. [all data]
Doucet, Sauvageau, et al., 1975
Doucet, J.; Sauvageau, P.; Sandorfy, C.,
Photoelectron far-ultraviolet absorption spectra of chlorofluoro derivatives of ethane,
J. Chem. Phys., 1975, 62, 355. [all data]
Leyland, Majer, et al., 1970
Leyland, L.M.; Majer, J.R.; Robb, J.C.,
Heat of formation of the CF2Cl. radical,
J. Chem. Soc. Faraday Trans., 1970, 66, 898. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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