Chemical Properties of Benzene, hexafluoro- (CAS 392-56-3)

InChI

InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChI Key

ZQBFAOFFOQMSGJ-UHFFFAOYSA-N

Formula

C6F6

SMILES

Fc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

186.05

CAS

392-56-3

Other Names

• 1,2,3,4,5,6-Hexafluorobenzene
• CP 28
• hexafluorobenzene
• perfluorobenzene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• EA : Electron affinity (eV).
• 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_subH : Enthalpy of sublimation 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).
• ν : Kinematic viscosity (m²/s).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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_boilr : Boiling point at reduced pressure (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	0.3960		KDB
PAff	648.00	kJ/mol	NIST
BasG	624.40	kJ/mol	NIST
ΔcH°liquid	[-2443.60; -2041.00]	kJ/mol
ΔcH°liquid	-2041.00 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-2443.60 ± 1.20	kJ/mol	NIST
Cp,liquid	221.42	J/mol×K	Reassembling and testing of a high-precision heat capacity drop calorimeter. Heat capacity of some polyphenyls at T = 298.15 K
EA	[0.48; 1.80]	eV
EA	0.53 ± 0.05	eV	NIST
EA	0.52 ± 0.11	eV	NIST
EA	0.70 ± 0.10	eV	NIST
EA	0.48	eV	NIST
EA	0.80 ± 0.10	eV	NIST
EA	0.83 ± 0.20	eV	NIST
EA	0.86 ± 0.03	eV	NIST
EA	Outlier 1.80 ± 0.30	eV	NIST
EA	1.20 ± 0.07	eV	NIST
ΔfG°	-880.00	kJ/mol	KDB
ΔfH°gas	[-957.30; -956.00]	kJ/mol
ΔfH°gas	-957.30	kJ/mol	KDB
ΔfH°gas	-956.00 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-991.70 ± 1.20	kJ/mol	NIST
ΔfusH°	21.87	kJ/mol	Joback Calculated Property
ΔvapH°	[35.47; 36.40]	kJ/mol
ΔvapH°	35.82	kJ/mol	NIST
ΔvapH°	36.10 ± 0.10	kJ/mol	NIST
ΔvapH°	35.60	kJ/mol	NIST
ΔvapH°	35.70	kJ/mol	NIST
ΔvapH°	36.40	kJ/mol	NIST
ΔvapH°	36.40 ± 0.10	kJ/mol	NIST
ΔvapH°	35.70	kJ/mol	NIST
ΔvapH°	35.47	kJ/mol	NIST
ΔvapH°	35.69 ± 0.08	kJ/mol	NIST
IE	[9.80; 10.20]	eV
IE	9.90 ± 0.04	eV	NIST
IE	9.80	eV	NIST
IE	9.91	eV	NIST
IE	9.90 ± 0.05	eV	NIST
IE	9.91	eV	NIST
IE	10.20 ± 0.10	eV	NIST
IE	9.93	eV	NIST
IE	9.90 ± 0.01	eV	NIST
IE	9.88 ± 0.05	eV	NIST
IE	9.97	eV	NIST
IE	10.20	eV	NIST
IE	10.14	eV	NIST
IE	10.09	eV	NIST
IE	10.09	eV	NIST
IE	9.90	eV	NIST
logPoct/wat	2.521		Crippen Calculated Property
McVol	82.260	ml/mol	McGowan Calculated Property
Pc	[3166.00; 3669.00]	kPa
Pc	3273.00	kPa	KDB
Pc	3260.00	kPa	NIST
Pc	3318.40 ± 3.44	kPa	NIST
Pc	3273.20 ± 1.01	kPa	NIST
Pc	3320.00 ± 20.00	kPa	NIST
Pc	3166.00 ± 10.00	kPa	NIST
Pc	Outlier 3669.00 ± 5.10	kPa	NIST
ρc	[493.04; 550.35]	kg/m3
ρc	550.35 ± 0.54	kg/m3	NIST
ρc	493.04 ± 4.91	kg/m3	NIST
Inp	[546.80; 609.00]
Inp	546.80		NIST
Inp	548.70		NIST
Inp	576.00		NIST
Inp	571.00		NIST
Inp	569.00		NIST
Inp	600.00		NIST
Inp	592.00		NIST
Inp	609.00		NIST
Inp	592.00		NIST
Inp	546.80		NIST
Inp	600.00		NIST
S°liquid	[279.91; 280.79]	J/mol×K
S°liquid	280.79	J/mol×K	NIST
S°liquid	279.91	J/mol×K	NIST
Tboil	[353.15; 353.70]	K
Tboil	353.41	K	KDB
Tboil	353.40 ± 0.40	K	NIST
Tboil	353.70	K	NIST
Tboil	353.30	K	NIST
Tboil	353.42 ± 0.15	K	NIST
Tboil	353.46 ± 0.30	K	NIST
Tboil	353.15 ± 0.06	K	NIST
Tboil	353.30 ± 0.20	K	NIST
Tboil	353.20 ± 1.50	K	NIST
Tboil	353.25 ± 0.05	K	NIST
Tboil	353.70 ± 1.00	K	NIST
Tc	[516.05; 518.40]	K
Tc	516.73	K	KDB
Tc	516.70	K	NIST
Tc	516.80	K	NIST
Tc	516.70 ± 0.30	K	NIST
Tc	516.76 ± 0.05	K	NIST
Tc	516.47 ± 0.20	K	NIST
Tc	516.67 ± 0.02	K	NIST
Tc	Outlier 518.40 ± 1.00	K	NIST
Tc	516.05 ± 0.05	K	NIST
Tc	516.72 ± 0.03	K	NIST
Tfus	[278.09; 278.50]	K
Tfus	278.50	K	KDB
Tfus	278.09 ± 0.05	K	NIST
Tfus	278.09 ± 0.05	K	NIST
Tfus	278.23 ± 0.05	K	NIST
Tfus	278.40 ± 0.10	K	NIST
Tfus	278.20 ± 0.08	K	NIST
Tfus	278.24 ± 0.01	K	NIST
Tfus	278.44 ± 0.30	K	NIST
Ttriple	[278.14; 278.30]	K
Ttriple	278.30	K	KDB
Ttriple	278.30 ± 0.02	K	NIST
Ttriple	Outlier 278.14 ± 0.15	K	NIST
Ttriple	278.25 ± 0.02	K	NIST
Ttriple	278.30 ± 0.02	K	NIST
Ttriple	278.25 ± 0.02	K	NIST
Vc	[0.335; 0.335]	m3/kmol
Vc	0.335	m3/kmol	KDB
Vc	0.335 ± 0.002	m3/kmol	NIST
Zc	0.2552060		KDB

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.98; 187.71]	J/mol×K	[384.08; 542.61]
Cp,gas	159.98	J/mol×K	384.08	Joback Calculated Property
Cp,gas	164.96	J/mol×K	410.50	Joback Calculated Property
Cp,gas	169.80	J/mol×K	436.92	Joback Calculated Property
Cp,gas	174.50	J/mol×K	463.34	Joback Calculated Property
Cp,gas	179.05	J/mol×K	489.77	Joback Calculated Property
Cp,gas	183.45	J/mol×K	516.19	Joback Calculated Property
Cp,gas	187.71	J/mol×K	542.61	Joback Calculated Property
Cp,liquid	[218.20; 232.70]	J/mol×K	[280.00; 350.00]
Cp,liquid	218.20	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	220.00	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	225.03	J/mol×K	298.15	NIST
Cp,liquid	221.60	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	221.58	J/mol×K	298.15	NIST
Cp,liquid	221.58	J/mol×K	298.15	NIST
Cp,liquid	221.60	J/mol×K	298.15	NIST
Cp,liquid	221.30	J/mol×K	298.76	NIST
Cp,liquid	221.90	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
Cp,liquid	222.00	J/mol×K	300.00	NIST
Cp,liquid	223.90	J/mol×K	310.00	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	226.00	J/mol×K	320.00	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	228.10	J/mol×K	330.00	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	230.40	J/mol×K	340.00	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	232.70	J/mol×K	350.00	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
ΔfusH	[11.59; 11.59]	kJ/mol	[278.25; 278.30]
ΔfusH	11.59	kJ/mol	278.25	NIST
ΔfusH	11.59	kJ/mol	278.25	NIST
ΔfusH	11.59	kJ/mol	278.30	NIST
ΔfusH	11.59	kJ/mol	278.30	NIST
ΔfusH	11.59	kJ/mol	278.30	NIST
ΔfusH	11.59	kJ/mol	278.30	NIST
ΔsubH	[46.00; 49.80]	kJ/mol	[246.50; 316.00]
ΔsubH	49.20	kJ/mol	246.50	NIST
ΔsubH	49.80	kJ/mol	253.00	NIST
ΔsubH	46.00	kJ/mol	316.00	NIST
ΔsubH	46.00	kJ/mol	316.00	NIST
ΔvapH	[31.66; 36.50]	kJ/mol	[299.50; 487.50]
ΔvapH	36.20	kJ/mol	299.50	NIST
ΔvapH	35.70	kJ/mol	308.00	NIST
ΔvapH	36.50	kJ/mol	316.00	NIST
ΔvapH	35.10	kJ/mol	324.50	NIST
ΔvapH	35.50	kJ/mol	325.50	NIST
ΔvapH	36.50	kJ/mol	331.00	NIST
ΔvapH	34.40	kJ/mol	347.00	NIST
ΔvapH	31.66	kJ/mol	353.30	NIST
ΔvapH	31.68	kJ/mol	353.40	KDB
ΔvapH	33.20	kJ/mol	368.50	NIST
ΔvapH	32.20	kJ/mol	423.00	NIST
ΔvapH	32.20	kJ/mol	439.50	NIST
ΔvapH	31.80	kJ/mol	459.50	NIST
ΔvapH	31.80	kJ/mol	487.50	NIST
ν	[0.0000004; 0.0000006]	m2/s	[298.15; 318.15]
ν	0.0000006	m2/s	298.15	Viscosities of Liquid Fluorocompounds
ν	0.0000005	m2/s	303.15	Viscosities of Liquid Fluorocompounds
ν	0.0000005	m2/s	308.15	Viscosities of Liquid Fluorocompounds
ν	0.0000004	m2/s	313.15	Viscosities of Liquid Fluorocompounds
ν	0.0000004	m2/s	318.15	Viscosities of Liquid Fluorocompounds
Pvap	[6.90; 49.95]	kPa	[288.23; 333.01]
Pvap	6.90	kPa	288.23	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	9.00	kPa	293.51	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	11.16	kPa	297.98	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	14.20	kPa	302.96	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	17.93	kPa	307.96	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	22.25	kPa	312.96	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	27.56	kPa	317.96	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	33.85	kPa	322.96	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	41.16	kPa	327.95	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	49.95	kPa	333.01	Densities and Vapor Pressures of Highly Fluorinated Compounds
ρl	[610.10; 1605.40]	kg/m3	[298.79; 516.57]
ρl	1605.40	kg/m3	298.79	Properties of Perfluorobenzene near the Critical Point
ρl	1548.50	kg/m3	323.83	Properties of Perfluorobenzene near the Critical Point
ρl	1499.40	kg/m3	343.88	Properties of Perfluorobenzene near the Critical Point
ρl	1450.50	kg/m3	363.85	Properties of Perfluorobenzene near the Critical Point
ρl	1397.90	kg/m3	383.91	Properties of Perfluorobenzene near the Critical Point
ρl	1342.10	kg/m3	403.92	Properties of Perfluorobenzene near the Critical Point
ρl	1281.20	kg/m3	423.93	Properties of Perfluorobenzene near the Critical Point
ρl	1213.90	kg/m3	443.90	Properties of Perfluorobenzene near the Critical Point
ρl	1135.30	kg/m3	463.89	Properties of Perfluorobenzene near the Critical Point
ρl	1037.10	kg/m3	483.90	Properties of Perfluorobenzene near the Critical Point
ρl	974.00	kg/m3	493.93	Properties of Perfluorobenzene near the Critical Point
ρl	892.30	kg/m3	503.88	Properties of Perfluorobenzene near the Critical Point
ρl	835.80	kg/m3	508.90	Properties of Perfluorobenzene near the Critical Point
ρl	744.60	kg/m3	513.91	Properties of Perfluorobenzene near the Critical Point
ρl	746.30	kg/m3	513.92	Properties of Perfluorobenzene near the Critical Point
ρl	670.30	kg/m3	515.98	Properties of Perfluorobenzene near the Critical Point
ρl	644.80	kg/m3	516.28	Properties of Perfluorobenzene near the Critical Point
ρl	610.10	kg/m3	516.57	Properties of Perfluorobenzene near the Critical Point
ΔfusS	[41.63; 41.65]	J/mol×K	[278.25; 278.30]
ΔfusS	41.65	J/mol×K	278.25	NIST
ΔfusS	41.65	J/mol×K	278.25	NIST
ΔfusS	41.63	J/mol×K	278.30	NIST
ΔfusS	41.63	J/mol×K	278.30	NIST
γ	[0.02; 0.02]	N/m	[288.05; 318.75]
γ	0.02	N/m	288.05	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	293.35	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	298.45	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	303.45	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	308.55	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	313.65	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	318.75	Surface Tension of Liquid Fluorocompounds

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[354.50; 354.70]	K	[99.10; 99.10]
Tboilr	354.70	K	99.10	NIST
Tboilr	354.50 ± 0.50	K	99.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[266.07; 377.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38550e+01
Coefficient B			-2.57337e+03
Coefficient C			-7.63960e+01
Temperature range, min.			266.07
Temperature range, max.			377.60
Pvap	1.33	kPa	266.07	Calculated Property
Pvap	3.06	kPa	278.46	Calculated Property
Pvap	6.40	kPa	290.85	Calculated Property
Pvap	12.32	kPa	303.25	Calculated Property
Pvap	22.17	kPa	315.64	Calculated Property
Pvap	37.65	kPa	328.03	Calculated Property
Pvap	60.85	kPa	340.42	Calculated Property
Pvap	94.19	kPa	352.82	Calculated Property
Pvap	140.44	kPa	365.21	Calculated Property
Pvap	202.63	kPa	377.60	Calculated Property
Pvap	[3.84; 3263.58]	kPa	[278.00; 516.73]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.63466e+01
Coefficient B			-7.45555e+03
Coefficient C			-1.22574e+01
Coefficient D			1.03019e-05
Temperature range, min.			278.00
Temperature range, max.			516.73
Pvap	3.84	kPa	278.00	Calculated Property
Pvap	15.22	kPa	304.53	Calculated Property
Pvap	46.25	kPa	331.05	Calculated Property
Pvap	115.36	kPa	357.58	Calculated Property
Pvap	248.01	kPa	384.10	Calculated Property
Pvap	476.26	kPa	410.63	Calculated Property
Pvap	838.86	kPa	437.15	Calculated Property
Pvap	1382.70	kPa	463.68	Calculated Property
Pvap	2165.99	kPa	490.20	Calculated Property
Pvap	3263.58	kPa	516.73	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, hexafluoro-.

Mixtures

• Benzene, hexafluoro- + Water
• Benzene, hexafluoro- + Sodium nitrate + Water
• sodium chloride + Benzene, hexafluoro- + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Properties of Perfluorobenzene near the Critical Point
• Solubility of water in fluorocarbons: Experimental and COSMO-RS prediction results
• Reassembling and testing of a high-precision heat capacity drop calorimeter. Heat capacity of some polyphenyls at T = 298.15 K
• Solubility of Hexafluorobenzene in Aqueous Salt Solutions from (280 to 340) K
• Densities and Vapor Pressures of Highly Fluorinated Compounds
• Surface Tension of Liquid Fluorocompounds
• Viscosities of Liquid Fluorocompounds
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• 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

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.
These property values are available through the Cheméo API. A free account gives you an access key.