Chemical Properties of Chlorotrifluoromethane (CAS 75-72-9)

InChI

InChI=1S/CClF3/c2-1(3,4)5

InChI Key

AFYPFACVUDMOHA-UHFFFAOYSA-N

Formula

CClF3

SMILES

FC(F)(F)Cl

Molecular Weight¹

104.46

CAS

75-72-9

Other Names

• Arcton 3
• CClF3
• CF3Cl
• CFC-13
• Chlorotrifluoromethane [R 13]
• Chlorotrifluromethane
• F 13
• FC 13
• Frigen 13
• Genetron 13
• Halocarbon 13
• Halocarbon 13/ucon 13
• Khladon 13
• Methane, chlorotrifluoro-
• Monochlorotrifluoromethane
• R 13
• R-13
• Refrigerant 13
• Trifluoromethyl chloride
• Trifluoromonochlorocarbon
• UN 1022
• freon 13
• trifluorochloromethane

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• 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_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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical 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	0.1800		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
PAff	571.30	kJ/mol	NIST
BasG	541.50	kJ/mol	NIST
εr	2.32		NCMS SOLV-DB
ΔfG°	-635.98	kJ/mol	Joback Calculated Property
ΔfH°gas	[-739.50; -695.40]	kJ/mol
ΔfH°gas	-710.30 ± 0.75	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfH°gas	-708.80 ± 4.20	kJ/mol	NIST
ΔfH°gas	-705.00 ± 3.40	kJ/mol	NIST
ΔfH°gas	Outlier -739.50 ± 5.00	kJ/mol	NIST
ΔfH°gas	-695.40 ± 9.20	kJ/mol	NIST
ΔfH°gas	-699.00	kJ/mol	NIST
ΔfH°gas	-715.00 ± 4.00	kJ/mol	NIST
ΔfusH°	4.37	kJ/mol	Joback Calculated Property
ΔvapH°	15.73	kJ/mol	NCMS SOLV-DB
IE	[12.39; 13.10]	eV
IE	12.60 ± 0.40	eV	NIST
IE	13.00 ± 1.00	eV	NIST
IE	13.08 ± 0.02	eV	NIST
IE	12.60 ± 0.02	eV	NIST
IE	12.45	eV	NIST
IE	12.39	eV	NIST
IE	12.39	eV	NIST
IE	12.91 ± 0.03	eV	NIST
IE	13.08 ± 0.01	eV	NIST
IE	13.10	eV	NIST
IE	13.00	eV	NIST
IE	13.08 ± 0.02	eV	NIST
log10WS	-1.16		Relay (1.0) Calculated Property
logPoct/wat	1.650		NCMS SOLV-DB
McVol	42.500	ml/mol	McGowan Calculated Property
Pc	[3867.94; 3921.28]	kPa
Pc	3880.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Pc	Outlier 3921.28	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3885.00 ± 6.00	kPa	NIST
Pc	3868.00 ± 10.00	kPa	NIST
Pc	3879.00 ± 9.80	kPa	NIST
Pc	3867.94	kPa	NIST
ρc	[577.66; 598.86]	kg/m3
ρc	598.86 ± 0.52	kg/m3	NIST
ρc	577.66 ± 3.13	kg/m3	NIST
ρc	582.36 ± 3.13	kg/m3	NIST
ρc	579.75	kg/m3	NIST
Inp	[190.00; 209.00]
Inp	209.00		NIST
Inp	190.00		NIST
Inp	190.00		NIST
Inp	209.00		NIST
Tboil	[191.65; 191.80]	K
Tboil	191.71	K	NCMS SOLV-DB
Tboil	191.70	K	NIST
Tboil	191.65 ± 0.05	K	NIST
Tboil	191.80 ± 0.30	K	NIST
Tboil	191.80 ± 0.30	K	NIST
Tc	[301.54; 302.00]	K
Tc	301.95	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Tc	302.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	301.92 ± 0.08	K	NIST
Tc	301.90 ± 0.10	K	NIST
Tc	Outlier 301.54 ± 0.20	K	NIST
Tc	301.92 ± 0.30	K	NIST
Tc	301.88 ± 0.05	K	NIST
Tc	301.98	K	NIST
Tc	301.80	K	NIST
Tfus	[84.15; 92.20]	K
Tfus	92.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	84.15	K	NCMS SOLV-DB
Tfus	92.20 ± 0.30	K	NIST
Tfus	92.03	K	NIST
Ttriple	[86.75; 92.00]	K
Ttriple	86.75	K	Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple	92.00 ± 2.00	K	NIST
Vc	[0.180; 0.180]	m3/kmol
Vc	0.180	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Vc	0.180	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
VCOSTALD	0.18	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.17		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	0.2780000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value
Zra	0.28		Hankinson and Thomson (1979), COSTALD parameters Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[87.30; 141.00]	J/mol×K	[160.00; 280.00]
Cp,liquid	87.30	J/mol×K	160.00	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	88.90	J/mol×K	170.00	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	90.50	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	92.30	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	94.40	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	97.00	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	100.00	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	104.00	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	109.00	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	115.00	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	123.00	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	131.00	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	134.00	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	141.00	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
η	0.0000160	Pa×s	298.15	NCMS SOLV-DB
ΔvapH	[15.70; 17.10]	kJ/mol	[157.50; 285.00]
ΔvapH	17.10	kJ/mol	157.50	NIST
ΔvapH	17.00	kJ/mol	159.00	NIST
ΔvapH	16.80	kJ/mol	168.50	NIST
ΔvapH	15.70	kJ/mol	215.00	NIST
ΔvapH	15.70	kJ/mol	257.00	NIST
ΔvapH	16.00	kJ/mol	285.00	NIST
Pvap	3613.04	kPa	298.15	NCMS SOLV-DB
n0	1.19900		298.15	NCMS SOLV-DB
γ	5.74e-04	N/m	298.15	NCMS SOLV-DB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[66.87; 90.33]	J/mol×K	[298.00; 600.00]	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			1.07712e+01
Coefficient B			2.66038e+02
Coefficient C			-2.98358e+02
Coefficient D			1.26655e+02
Coefficient E			-3.40400e-03
Reference			Chase, 1998
Comment			F=-720.5936, G=231.1915, H=-707.9328; Data last reviewed in June, 1969
Temperature range, min.			298.00
Temperature range, max.			600.00
Cp,gas	66.87	J/mol×K	298.00	Calculated Property
Cp,gas	70.76	J/mol×K	331.56	Calculated Property
Cp,gas	74.27	J/mol×K	365.11	Calculated Property
Cp,gas	77.42	J/mol×K	398.67	Calculated Property
Cp,gas	80.23	J/mol×K	432.22	Calculated Property
Cp,gas	82.74	J/mol×K	465.78	Calculated Property
Cp,gas	84.98	J/mol×K	499.33	Calculated Property
Cp,gas	86.97	J/mol×K	532.89	Calculated Property
Cp,gas	88.74	J/mol×K	566.44	Calculated Property
Cp,gas	90.33	J/mol×K	600.00	Calculated Property
Cp,gas	[90.03; 107.96]	J/mol×K	[600.00; 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			1.03922e+02
Coefficient B			2.83756e+00
Coefficient C			-6.64553e-01
Coefficient D			5.13360e-02
Coefficient E			-5.53112e+00
Reference			Chase, 1998
Comment			F=-755.6764, G=384.5083, H=-707.9328; Data last reviewed in June, 1969
Temperature range, min.			600.00
Temperature range, max.			6000.00
Cp,gas	90.03	J/mol×K	600.00	Calculated Property
Cp,gas	102.62	J/mol×K	1200.00	Calculated Property
Cp,gas	105.47	J/mol×K	1800.00	Calculated Property
Cp,gas	106.65	J/mol×K	2400.00	Calculated Property
Cp,gas	107.23	J/mol×K	3000.00	Calculated Property
Cp,gas	107.49	J/mol×K	3600.00	Calculated Property
Cp,gas	107.61	J/mol×K	4200.00	Calculated Property
Cp,gas	107.67	J/mol×K	4800.00	Calculated Property
Cp,gas	107.76	J/mol×K	5400.00	Calculated Property
Cp,gas	107.96	J/mol×K	6000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[5.74e-04; 3825.19]	kPa	[92.15; 302.00]	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			4.10990e+01
Coefficient B			-2.65987e+03
Coefficient C			-4.37378e+00
Coefficient D			1.02412e-05
Coefficient E			0.00000e+00
Temperature range, min.			92.15
Temperature range, max.			302.00
Pvap	5.74e-04	kPa	92.15	Calculated Property
Pvap	0.08	kPa	115.47	Calculated Property
Pvap	1.74	kPa	138.78	Calculated Property
Pvap	14.95	kPa	162.10	Calculated Property
Pvap	71.04	kPa	185.42	Calculated Property
Pvap	230.83	kPa	208.73	Calculated Property
Pvap	580.67	kPa	232.05	Calculated Property
Pvap	1222.20	kPa	255.37	Calculated Property
Pvap	2264.79	kPa	278.68	Calculated Property
Pvap	3825.19	kPa	302.00	Calculated Property
Pvap	[0.13; 101.80]	kPa	[123.70; 192.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.26089e+01
Coefficient B			-1.20209e+03
Coefficient C			-4.14730e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			123.70
Temperature range, max.			192.00
Pvap	0.13	kPa	123.70	Calculated Property
Pvap	0.46	kPa	131.29	Calculated Property
Pvap	1.31	kPa	138.88	Calculated Property
Pvap	3.19	kPa	146.47	Calculated Property
Pvap	6.90	kPa	154.06	Calculated Property
Pvap	13.54	kPa	161.64	Calculated Property
Pvap	24.53	kPa	169.23	Calculated Property
Pvap	41.58	kPa	176.82	Calculated Property
Pvap	66.62	kPa	184.41	Calculated Property
Pvap	101.80	kPa	192.00	Calculated Property
Pvap	[101.86; 4031.77]	kPa	[192.00; 325.90]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.23805e+01
Coefficient B			-1.15165e+03
Coefficient C			-4.35320e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			192.00
Temperature range, max.			325.90
Pvap	101.86	kPa	192.00	Calculated Property
Pvap	206.46	kPa	206.88	Calculated Property
Pvap	371.92	kPa	221.76	Calculated Property
Pvap	611.88	kPa	236.63	Calculated Property
Pvap	937.46	kPa	251.51	Calculated Property
Pvap	1356.74	kPa	266.39	Calculated Property
Pvap	1874.77	kPa	281.27	Calculated Property
Pvap	2493.76	kPa	296.14	Calculated Property
Pvap	3213.49	kPa	311.02	Calculated Property
Pvap	4031.77	kPa	325.90	Calculated Property

Similar Compounds

Find more compounds similar to Chlorotrifluoromethane.

Mixtures

• Chlorotrifluoromethane + Trichloromonofluoromethane

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.
• Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
• Cheméo Relay (1.0)
• Crippen Method
• Experimental P-T-rho and Enthalpy-Increment Measurements of an Equimolar Mixture of Trichlorofluoromethane (R-11) + Chlorotrifluoromethane (R-13)
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.