Chemical Properties of Ethane, 1,2-dichloro-1,1,2,2-tetrafluoro- (CAS 76-14-2)

InChI

InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8

InChI Key

DDMOUSALMHHKOS-UHFFFAOYSA-N

Formula

C2Cl2F4

SMILES

FC(F)(Cl)C(F)(F)Cl

Molecular Weight¹

170.92

CAS

76-14-2

Other Names

• (CF2Cl)2
• 1,1,2,2-tetrafluoro-1,2-dichloroethane
• 1,2-Dichlorotetrafluoroethane [R114]
• 1,2-dichloro-1,1,2,2-tetrafluoroethane
• 1,2-dichlorotetrafluoroethane
• Arcton 114
• Arcton 33
• CFC-114
• Cryofluoran
• Cryofluorane
• Dichloro-1,1,2,2-tetrafluoroethane
• Ethane, 1,2-dichlorotetrafluoro-
• F 114
• F 114 (halocarbon)
• FC 114
• FKW 114
• Fluorane 114
• Fluorocarbon 114
• Freon 114
• Frigen 114
• Frigiderm
• Genetron 114
• Genetron 316
• Halocarbon 114
• Halon 242
• Isotron 114
• Ledon 114
• Propellant 114
• R 114
• R 114 (halocarbon)
• R-114
• REFRIGERANT-114
• Refrigerant 114
• Refrigerant R114
• Ucon 114
• s-Dichlorotetrafluoroethane
• sym-Dichlorotetrafluoroethane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• ε_r : Dielectric Constant (Relative permittivity).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.2460; 0.2460]
ω	0.2460		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2460		KDB
ΔcH°liquid	-589.90 ± 6.80	kJ/mol	NIST
μ	0.50	debye	KDB
εr	2.26		NCMS SOLV-DB
ΔfG°	-831.46	kJ/mol	Joback Calculated Property
ΔfH°gas	[-937.00; -898.50]	kJ/mol
ΔfH°gas	-898.50	kJ/mol	KDB
ΔfH°gas	-937.00 ± 7.30	kJ/mol	NIST
ΔfH°gas	-930.00 ± 10.00	kJ/mol	NIST
ΔfH°liquid	-960.20 ± 7.30	kJ/mol	NIST
ΔfusH°	6.82	kJ/mol	Joback Calculated Property
ΔvapH°	[23.20; 23.40]	kJ/mol
ΔvapH°	23.30	kJ/mol	NCMS SOLV-DB
ΔvapH°	23.20 ± 0.40	kJ/mol	NIST
ΔvapH°	23.40 ± 0.42	kJ/mol	NIST
IE	[12.47; 12.85]	eV
IE	12.47	eV	NIST
IE	12.85	eV	NIST
log10WS	[-3.12; -2.74]
log10WS	-3.12		Aq. Solubility Prediction
log10WS	-2.74		Estimated Solubility
logPoct/wat	2.820		NCMS SOLV-DB
McVol	70.600	ml/mol	McGowan Calculated Property
Pc	[3252.00; 3393.00]	kPa
Pc	3255.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Pc	3269.76	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3252.00	kPa	KDB
Pc	3393.00 ± 0.01	kPa	NIST
Pc	3268.10	kPa	NIST
ρc	581.82 ± 0.58	kg/m3	NIST
Inp	[352.00; 361.00]
Inp	359.00		NIST
Inp	352.00		NIST
Inp	352.00		NIST
Inp	361.00		NIST
Inp	359.00		NIST
S°liquid	282.00	J/mol×K	NIST
Tboil	[275.44; 277.30]	K
Tboil	276.90	K	KDB
Tboil	277.25	K	NCMS SOLV-DB
Tboil	276.90	K	NIST
Tboil	Outlier 275.44 ± 0.20	K	NIST
Tboil	277.30	K	NIST
Tboil	276.70	K	NIST
Tc	[418.78; 418.90]	K
Tc	418.80	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Tc	418.85	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	418.78	K	KDB
Tc	418.85 ± 0.30	K	NIST
Tc	418.85 ± 0.04	K	NIST
Tc	418.87	K	NIST
Tc	418.90 ± 0.33	K	NIST
Tfus	[179.00; 179.15]	K
Tfus	179.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	179.00	K	KDB
Tfus	179.15	K	NCMS SOLV-DB
Ttriple	[179.00; 180.62]	K
Ttriple	179.00 ± 1.50	K	NIST
Ttriple	180.62 ± 0.02	K	NIST
Ttriple	180.62 ± 0.02	K	NIST
Vc	[0.293; 0.297]	m3/kmol
Vc	0.296	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Vc	0.293	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.297	m3/kmol	KDB
Zc	[0.2760000; 0.2773860]
Zc	0.2760000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Zc	0.2773860		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[141.30; 169.90]	J/mol×K	[180.00; 300.00]
Cp,liquid	141.30	J/mol×K	180.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	143.00	J/mol×K	190.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	144.70	J/mol×K	200.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	146.50	J/mol×K	210.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	148.30	J/mol×K	220.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	150.20	J/mol×K	230.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	152.10	J/mol×K	240.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	154.10	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	156.10	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	158.20	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	158.80	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	160.30	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	162.50	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	169.90	J/mol×K	293.30	NIST
Cp,liquid	169.90	J/mol×K	293.30	NIST
Cp,liquid	164.30	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	164.00	J/mol×K	298.15	NIST
Cp,liquid	164.70	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
η	0.0003800	Pa×s	298.15	NCMS SOLV-DB
ΔfusH	1.51	kJ/mol	180.60	NIST
ΔvapH	[23.26; 25.30]	kJ/mol	[227.50; 334.00]
ΔvapH	25.30	kJ/mol	227.50	NIST
ΔvapH	25.10	kJ/mol	243.50	NIST
ΔvapH	23.26	kJ/mol	277.30	KDB
ΔvapH	24.30	kJ/mol	334.00	NIST
Pvap	267.98	kPa	298.15	NCMS SOLV-DB
n0	1.28600		298.15	NCMS SOLV-DB
ρl	1480.00	kg/m3	277.00	KDB
γ	[0.01; 0.03]	N/m	[273.20; 298.15]
γ	0.03	N/m	273.20	KDB
γ	0.01	N/m	298.15	NCMS SOLV-DB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[104.59; 170.27]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.27000e+00
Coefficient B			5.06200e-01
Coefficient C			-5.35000e-04
Coefficient D			1.96800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	104.59	J/mol×K	273.00	Calculated Property
Cp,gas	123.11	J/mol×K	353.78	Calculated Property
Cp,gas	137.36	J/mol×K	434.56	Calculated Property
Cp,gas	147.99	J/mol×K	515.33	Calculated Property
Cp,gas	155.60	J/mol×K	596.11	Calculated Property
Cp,gas	160.82	J/mol×K	676.89	Calculated Property
Cp,gas	164.28	J/mol×K	757.67	Calculated Property
Cp,gas	166.59	J/mol×K	838.44	Calculated Property
Cp,gas	168.38	J/mol×K	919.22	Calculated Property
Cp,gas	170.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.19; 3284.97]	kPa	[180.63; 418.83]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39608e+01
Coefficient B			-2.23751e+03
Coefficient C			-3.72400e+01
Temperature range, min.			180.63
Temperature range, max.			418.83
Pvap	0.19	kPa	180.63	Calculated Property
Pvap	2.20	kPa	207.10	Calculated Property
Pvap	12.98	kPa	233.56	Calculated Property
Pvap	50.28	kPa	260.03	Calculated Property
Pvap	146.06	kPa	286.50	Calculated Property
Pvap	345.75	kPa	312.96	Calculated Property
Pvap	703.77	kPa	339.43	Calculated Property
Pvap	1277.57	kPa	365.90	Calculated Property
Pvap	2121.98	kPa	392.36	Calculated Property
Pvap	3284.97	kPa	418.83	Calculated Property
Pvap	[0.18; 3264.40]	kPa	[179.15; 418.85]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.29995e+01
Coefficient B			-5.26528e+03
Coefficient C			-1.07600e+01
Coefficient D			1.49659e-05
Coefficient E			0.00000e+00
Temperature range, min.			179.15
Temperature range, max.			418.85
Pvap	0.18	kPa	179.15	Calculated Property
Pvap	2.08	kPa	205.78	Calculated Property
Pvap	12.52	kPa	232.42	Calculated Property
Pvap	48.67	kPa	259.05	Calculated Property
Pvap	140.35	kPa	285.68	Calculated Property
Pvap	328.68	kPa	312.32	Calculated Property
Pvap	664.37	kPa	338.95	Calculated Property
Pvap	1208.87	kPa	365.58	Calculated Property
Pvap	2040.28	kPa	392.22	Calculated Property
Pvap	3264.40	kPa	418.85	Calculated Property
Pvap	[0.14; 101.36]	kPa	[177.80; 276.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38057e+01
Coefficient B			-2.16981e+03
Coefficient C			-4.05180e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			177.80
Temperature range, max.			276.70
Pvap	0.14	kPa	177.80	Calculated Property
Pvap	0.44	kPa	188.79	Calculated Property
Pvap	1.20	kPa	199.78	Calculated Property
Pvap	2.89	kPa	210.77	Calculated Property
Pvap	6.26	kPa	221.76	Calculated Property
Pvap	12.40	kPa	232.74	Calculated Property
Pvap	22.84	kPa	243.73	Calculated Property
Pvap	39.49	kPa	254.72	Calculated Property
Pvap	64.74	kPa	265.71	Calculated Property
Pvap	101.36	kPa	276.70	Calculated Property
Pvap	[101.73; 3033.02]	kPa	[276.70; 414.10]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41646e+01
Coefficient B			-2.37403e+03
Coefficient C			-2.79110e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			276.70
Temperature range, max.			414.10
Pvap	101.73	kPa	276.70	Calculated Property
Pvap	176.62	kPa	291.97	Calculated Property
Pvap	288.70	kPa	307.23	Calculated Property
Pvap	448.48	kPa	322.50	Calculated Property
Pvap	667.08	kPa	337.77	Calculated Property
Pvap	955.93	kPa	353.03	Calculated Property
Pvap	1326.34	kPa	368.30	Calculated Property
Pvap	1789.27	kPa	383.57	Calculated Property
Pvap	2355.01	kPa	398.83	Calculated Property
Pvap	3033.02	kPa	414.10	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,2-dichloro-1,1,2,2-tetrafluoro-.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 ChEDL chemicals 1.5.2, from Marsh, K. N.; Abramson, A.; Ambrose, D.; Morton, D. W.; Nikitin, E.; Tsonopoulos, C.; Young, C. L. Vapor-Liquid Critical Properties of Elements and Compounds. 10. Organic Compounds Containing Halogens. J. Chem. Eng. Data 2007, 52, 1509-1538.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Solubility Differences of Halocarbon Isomers in Ionic Liquid [emim][Tf2N]
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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