Chemical Properties of Dichlorodifluoromethane (CAS 75-71-8)

InChI

InChI=1S/CCl2F2/c2-1(3,4)5

InChI Key

PXBRQCKWGAHEHS-UHFFFAOYSA-N

Formula

CCl2F2

SMILES

FC(F)(Cl)Cl

Molecular Weight¹

120.91

CAS

75-71-8

Other Names

• Algofrene Type 2
• Arcton 12
• Arcton 6
• CCl2F2
• CF2Cl2
• CFC-12
• Chlorofluorocarbon 12
• Chlorofluoromethane (CCl2F2)
• Dichlorodifluoromethane [R12]
• Difluorodichloromethane
• Dwuchlorodwufluorometan
• Dymel 12
• Electro-CF 12
• Eskimon 12
• F 12
• FC 12
• FCC 12
• FKW 12
• Fluorocarbon 12
• Forane 12
• Freon 12
• Freon F-12
• Frigen 12
• Genetron 12
• Halocarbon 12
• Halon 122
• Isceon 122
• Isotron 12
• Isotron 2
• Kaiser chemicals 12
• Ledon 12
• Methane, dichlorodifluoro-
• Propellant 12
• Propellent 12
• R 12
• R 12, Refrigerant
• R-12
• REFRIGERANT-12
• Rcra waste number U075
• Refrigerant 12
• Refrigerant R12
• UN 1028
• Ucon 12
• Ucon 12/halocarbon 12

• ω : Acentric Factor.
• 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).
• EA : Electron affinity (eV).
• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point 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.
• 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).
• V_COSTALD : COSTALD Characteristic Volume (m³/kmol).
• ω_SRK : SRK acentric factor.
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.1760; 0.2040]
ω	0.1760		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2040		KDB
μ	0.50	debye	KDB
EA	0.40 ± 0.20	eV	NIST
εr	2.13		NCMS SOLV-DB
ΔfG°	-442.50	kJ/mol	KDB
ΔfH°gas	[-495.81; -469.00]	kJ/mol
ΔfH°gas	-495.81 ± 0.98	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfH°gas	-481.50	kJ/mol	KDB
ΔfH°gas	-477.60 ± 5.60	kJ/mol	NIST
ΔfH°gas	-477.00 ± 13.00	kJ/mol	NIST
ΔfH°gas	-469.00 ± 8.00	kJ/mol	NIST
ΔfusH°	5.49	kJ/mol	Joback Calculated Property
ΔvapH°	20.13	kJ/mol	NCMS SOLV-DB
IE	[11.70; 12.31]	eV
IE	12.00 ± 0.20	eV	NIST
IE	12.26 ± 0.02	eV	NIST
IE	11.87 ± 0.02	eV	NIST
IE	11.75	eV	NIST
IE	11.75 ± 0.04	eV	NIST
IE	12.31 ± 0.05	eV	NIST
IE	11.70 ± 0.50	eV	NIST
IE	12.24 ± 0.01	eV	NIST
IE	12.30	eV	NIST
log10WS	-1.99		Aq. Solubility Prediction
logPoct/wat	2.160		NCMS SOLV-DB
McVol	52.970	ml/mol	McGowan Calculated Property
NFPA Fire	0		NCMS SOLV-DB
NFPA Health	1		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	[3911.15; 4136.00]	kPa
Pc	4130.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Pc	4123.93	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	4136.00	kPa	KDB
Pc	4131.00 ± 5.00	kPa	NIST
Pc	4119.00 ± 20.00	kPa	NIST
Pc	4129.00 ± 15.00	kPa	NIST
Pc	4116.15	kPa	NIST
Pc	Outlier 3911.15 ± 6.07	kPa	NIST
Ptriple	0.01 ± 0.01	kPa	NIST
ρc	[568.30; 669.86]	kg/m3
ρc	579.06 ± 0.48	kg/m3	NIST
ρc	568.30 ± 5.67	kg/m3	NIST
ρc	568.30 ± 4.84	kg/m3	NIST
ρc	669.86 ± 8.46	kg/m3	NIST
Inp	[305.00; 320.00]
Inp	318.00		NIST
Inp	311.00		NIST
Inp	314.00		NIST
Inp	320.00		NIST
Inp	313.00		NIST
Inp	313.00		NIST
Inp	305.00		NIST
Inp	305.00		NIST
Inp	314.00		NIST
Inp	305.00		NIST
Inp	318.00		NIST
Tboil	[242.00; 245.35]	K
Tboil	243.30	K	KDB
Tboil	243.38	K	NCMS SOLV-DB
Tboil	243.30	K	NIST
Tboil	243.00 ± 1.50	K	NIST
Tboil	243.40 ± 0.30	K	NIST
Tboil	243.37	K	NIST
Tboil	242.00 ± 5.00	K	NIST
Tboil	Outlier 245.35 ± 0.50	K	NIST
Tc	[302.30; 385.15]	K
Tc	385.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Tc	385.15	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	384.95	K	KDB
Tc	385.15 ± 0.30	K	NIST
Tc	385.15 ± 0.20	K	NIST
Tc	385.01 ± 0.03	K	NIST
Tc	385.01 ± 0.05	K	NIST
Tc	385.15	K	NIST
Tc	Outlier 302.30 ± 0.06	K	NIST
Tfus	[114.95; 115.37]	K
Tfus	115.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	115.00	K	KDB
Tfus	114.95	K	NCMS SOLV-DB
Tfus	115.20 ± 0.30	K	NIST
Tfus	115.37	K	NIST
Ttriple	[115.15; 390.35]	K
Ttriple	116.10 ± 0.01	K	NIST
Ttriple	115.15 ± 0.10	K	NIST
Ttriple	390.35 ± 0.05	K	NIST
Vc	[0.214; 0.217]	m3/kmol
Vc	0.214	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Vc	0.217	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.217	m3/kmol	KDB
VCOSTALD	0.21	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.17		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2770000; 0.2804140]
Zc	0.2770000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Zc	0.2804140		KDB
Zra	[0.28; 0.28]
Zra	0.28		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra	0.28		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[103.00; 126.80]	J/mol×K	[190.00; 298.15]
Cp,liquid	103.00	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	104.00	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	104.00	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	105.00	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	106.00	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	108.00	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	109.00	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	111.00	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	113.00	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	113.00	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	115.00	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	117.00	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	126.80	J/mol×K	290.00	NIST
Cp,liquid	119.00	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
η	0.0002200	Pa×s	298.15	NCMS SOLV-DB
ΔvapH	[19.97; 22.90]	kJ/mol	[198.50; 363.00]
ΔvapH	21.50	kJ/mol	198.50	NIST
ΔvapH	21.60	kJ/mol	206.50	NIST
ΔvapH	21.40	kJ/mol	208.50	NIST
ΔvapH	22.90	kJ/mol	225.50	NIST
ΔvapH	20.40	kJ/mol	243.00	NIST
ΔvapH	19.97	kJ/mol	243.30	KDB
ΔvapH	20.40	kJ/mol	260.50	NIST
ΔvapH	20.00	kJ/mol	313.50	NIST
ΔvapH	20.50	kJ/mol	363.00	NIST
Pvap	566.62	kPa	293.15	NCMS SOLV-DB
n0	1.29000		298.15	NCMS SOLV-DB
ρl	1750.00	kg/m3	158.00	KDB
γ	[0.01; 0.01]	N/m	[277.60; 298.15]
γ	0.01	N/m	277.60	KDB
γ	0.01	N/m	298.15	NCMS SOLV-DB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[72.36; 103.05]	J/mol×K	[298.00; 1100.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.80101e+01
Coefficient B			1.39181e+02
Coefficient C			-1.24333e+02
Coefficient D			3.97515e+01
Coefficient E			-6.33834e-01
Reference			Chase, 1998
Comment			F=-513.2304, G=319.1028, H=-491.6200; Data last reviewed in June, 1970
Temperature range, min.			298.00
Temperature range, max.			1100.00
Cp,gas	72.36	J/mol×K	298.00	Calculated Property
Cp,gas	81.33	J/mol×K	387.11	Calculated Property
Cp,gas	87.59	J/mol×K	476.22	Calculated Property
Cp,gas	92.16	J/mol×K	565.33	Calculated Property
Cp,gas	95.51	J/mol×K	654.44	Calculated Property
Cp,gas	97.95	J/mol×K	743.56	Calculated Property
Cp,gas	99.73	J/mol×K	832.67	Calculated Property
Cp,gas	101.05	J/mol×K	921.78	Calculated Property
Cp,gas	102.10	J/mol×K	1010.89	Calculated Property
Cp,gas	103.05	J/mol×K	1100.00	Calculated Property
Cp,gas	[103.00; 107.91]	J/mol×K	[1100.00; 6000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.07364e+02
Coefficient B			4.04844e-01
Coefficient C			-8.20330e-02
Coefficient D			5.68900e-03
Coefficient E			-5.70739e+00
Reference			Chase, 1998
Comment			F=-539.7486, G=406.4660, H=-491.6200; Data last reviewed in June, 1970
Temperature range, min.			1100.00
Temperature range, max.			6000.00
Cp,gas	103.00	J/mol×K	1100.00	Calculated Property
Cp,gas	105.72	J/mol×K	1644.44	Calculated Property
Cp,gas	106.73	J/mol×K	2188.89	Calculated Property
Cp,gas	107.21	J/mol×K	2733.33	Calculated Property
Cp,gas	107.48	J/mol×K	3277.78	Calculated Property
Cp,gas	107.64	J/mol×K	3822.22	Calculated Property
Cp,gas	107.74	J/mol×K	4366.67	Calculated Property
Cp,gas	107.81	J/mol×K	4911.11	Calculated Property
Cp,gas	107.86	J/mol×K	5455.56	Calculated Property
Cp,gas	107.91	J/mol×K	6000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 4122.70]	kPa	[175.40; 385.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39235e+01
Coefficient B			-1.99245e+03
Coefficient C			-2.92770e+01
Temperature range, min.			175.40
Temperature range, max.			385.12
Pvap	1.33	kPa	175.40	Calculated Property
Pvap	8.70	kPa	198.70	Calculated Property
Pvap	36.07	kPa	222.00	Calculated Property
Pvap	110.00	kPa	245.31	Calculated Property
Pvap	270.01	kPa	268.61	Calculated Property
Pvap	565.15	kPa	291.91	Calculated Property
Pvap	1048.74	kPa	315.21	Calculated Property
Pvap	1772.98	kPa	338.52	Calculated Property
Pvap	2784.73	kPa	361.82	Calculated Property
Pvap	4122.70	kPa	385.12	Calculated Property
Pvap	[9.57e-05; 4250.24]	kPa	[115.15; 384.95]	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			9.22643e+01
Coefficient B			-4.84972e+03
Coefficient C			-1.25836e+01
Coefficient D			2.42960e-05
Coefficient E			0.00000e+00
Temperature range, min.			115.15
Temperature range, max.			384.95
Pvap	9.57e-05	kPa	115.15	Calculated Property
Pvap	0.04	kPa	145.13	Calculated Property
Pvap	1.37	kPa	175.11	Calculated Property
Pvap	14.17	kPa	205.08	Calculated Property
Pvap	71.56	kPa	235.06	Calculated Property
Pvap	234.61	kPa	265.04	Calculated Property
Pvap	588.02	kPa	295.02	Calculated Property
Pvap	1244.99	kPa	324.99	Calculated Property
Pvap	2373.40	kPa	354.97	Calculated Property
Pvap	4250.24	kPa	384.95	Calculated Property
Pvap	[0.13; 101.80]	kPa	[154.70; 243.40]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.33805e+01
Coefficient B			-1.80079e+03
Coefficient C			-3.77730e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			154.70
Temperature range, max.			243.40
Pvap	0.13	kPa	154.70	Calculated Property
Pvap	0.44	kPa	164.56	Calculated Property
Pvap	1.22	kPa	174.41	Calculated Property
Pvap	2.97	kPa	184.27	Calculated Property
Pvap	6.44	kPa	194.12	Calculated Property
Pvap	12.75	kPa	203.98	Calculated Property
Pvap	23.39	kPa	213.83	Calculated Property
Pvap	40.23	kPa	223.69	Calculated Property
Pvap	65.50	kPa	233.54	Calculated Property
Pvap	101.80	kPa	243.40	Calculated Property

Similar Compounds

Find more compounds similar to Dichlorodifluoromethane.

Mixtures

• Dichlorodifluoromethane + Carbon dioxide
• Dichlorodifluoromethane + Water
• Dichlorodifluoromethane + Trichloromonofluoromethane
• Dichlorodifluoromethane + Hydrogen
• Dichlorodifluoromethane + helium
• Dichlorodifluoromethane + Nitrogen
• Dichlorodifluoromethane + Nitrogen + Oxygen

Sources

• KDB Vapor Pressure Data
• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• 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).
• Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
• 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.
• Measurement of gas mixing volumes by Flux Response Technology
• Determination of Dichlorodifluoromethane's Diffusion Coefficients in Hydrogen, Helium, Nitrogen, and Air by Reversed-Flow Inverse Gas Chromatography
• Experimental P-T- and Enthalpy-Increment Measurements of an Equimolar Mixture of Trichlorofluoromethane (R-11) + Dichlorodifluoromethane (R-12)
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Joback Method
• KDB
• Aqueous Solubility Prediction 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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