Chemical Properties of Benzene, pentafluoro(trifluoromethyl)- (CAS 434-64-0)

InChI

InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10

InChI Key

USPWUOFNOTUBAD-UHFFFAOYSA-N

Formula

C7F8

SMILES

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

Molecular Weight¹

236.06

CAS

434-64-0

Other Names

• (Trifluoromethyl)pentafluorobenzene
• Pentafluoro(trifluoro-methyl)benzene
• octafluorotoluene
• pentafluoro(trifluoromethyl)benzene
• perfluorotoluene
• toluene, octafluoro-

• ω : Acentric Factor.
• 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_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).
• 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_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	0.4750		KDB
EA	[0.86; 1.70]	eV
EA	0.86 ± 0.11	eV	NIST
EA	1.70 ± 0.30	eV	NIST
ΔfG°	-1483.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1269.40 ± 7.80	kJ/mol	NIST
ΔfH°liquid	-1311.10 ± 7.80	kJ/mol	NIST
ΔfusH°	23.21	kJ/mol	Joback Calculated Property
ΔvapH°	[40.40; 41.60]	kJ/mol
ΔvapH°	40.50 ± 0.20	kJ/mol	NIST
ΔvapH°	40.40	kJ/mol	NIST
ΔvapH°	41.60 ± 0.20	kJ/mol	NIST
ΔvapH°	41.60 ± 0.20	kJ/mol	NIST
IE	[9.90; 10.54]	eV
IE	10.20	eV	NIST
IE	10.40 ± 0.10	eV	NIST
IE	10.54	eV	NIST
IE	9.90	eV	NIST
logPoct/wat	3.401		Crippen Calculated Property
McVol	99.890	ml/mol	McGowan Calculated Property
Pc	[2680.00; 2705.00]	kPa
Pc	2705.00	kPa	KDB
Pc	2680.00	kPa	NIST
Pc	2705.00 ± 4.00	kPa	NIST
ρc	551.91 ± 0.54	kg/m3	NIST
S°liquid	[355.50; 360.10]	J/mol×K
S°liquid	360.10	J/mol×K	NIST
S°liquid	355.50	J/mol×K	NIST
Tboil	[377.00; 377.73]	K
Tboil	377.73	K	KDB
Tboil	377.00 ± 1.00	K	NIST
Tboil	377.20	K	NIST
Tc	[534.40; 534.47]	K
Tc	534.47	K	KDB
Tc	534.40	K	NIST
Tc	534.47 ± 0.20	K	NIST
Tc	534.47 ± 0.05	K	NIST
Tfus	207.50	K	KDB
Ttriple	[207.62; 207.69]	K
Ttriple	207.62 ± 0.02	K	NIST
Ttriple	207.69 ± 0.02	K	NIST
Ttriple	207.69 ± 0.02	K	NIST
Vc	0.428	m3/kmol	KDB
Zc	0.2605260		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,liquid	[240.00; 284.90]	J/mol×K	[210.00; 370.00]
Cp,liquid	240.00	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	242.00	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	244.10	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	246.40	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	248.90	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	251.50	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	254.20	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	255.10	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	257.00	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	259.90	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	262.30	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	266.40	J/mol×K	298.15	NIST
Cp,liquid	262.30	J/mol×K	298.15	NIST
Cp,liquid	262.90	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	265.90	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	269.00	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	272.20	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	275.30	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	278.50	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
Cp,liquid	281.70	J/mol×K	360.00	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	284.90	J/mol×K	370.00	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	[11.49; 11.58]	kJ/mol	[207.00; 207.69]
ΔfusH	11.49	kJ/mol	207.00	NIST
ΔfusH	11.49	kJ/mol	207.00	NIST
ΔfusH	11.58	kJ/mol	207.62	NIST
ΔfusH	11.49	kJ/mol	207.69	NIST
ΔfusH	11.49	kJ/mol	207.69	NIST
ΔvapH	[40.00; 40.90]	kJ/mol	[330.50; 334.50]
ΔvapH	40.90	kJ/mol	330.50	NIST
ΔvapH	40.00	kJ/mol	334.50	NIST
ν	[0.0000005; 0.0000006]	m2/s	[298.15; 318.15]
ν	0.0000006	m2/s	298.15	Viscosities of Liquid Fluorocompounds
ν	0.0000006	m2/s	303.15	Viscosities of Liquid Fluorocompounds
ν	0.0000005	m2/s	308.15	Viscosities of Liquid Fluorocompounds
ν	0.0000005	m2/s	313.15	Viscosities of Liquid Fluorocompounds
ν	0.0000005	m2/s	318.15	Viscosities of Liquid Fluorocompounds
Pvap	[2.18; 21.31]	kPa	[288.23; 333.93]
Pvap	2.18	kPa	288.23	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	2.95	kPa	293.20	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	3.87	kPa	298.28	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	5.09	kPa	303.18	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	6.54	kPa	308.15	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	8.43	kPa	313.15	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	10.69	kPa	318.15	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	13.38	kPa	323.15	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	16.86	kPa	328.45	Densities and Vapor Pressures of Highly Fluorinated Compounds
Pvap	21.31	kPa	333.93	Densities and Vapor Pressures of Highly Fluorinated Compounds
ΔfusS	[55.32; 55.32]	J/mol×K	[207.69; 207.69]
ΔfusS	55.32	J/mol×K	207.69	NIST
ΔfusS	55.32	J/mol×K	207.69	NIST
γ	[0.02; 0.02]	N/m	[287.15; 318.85]
γ	0.02	N/m	287.15	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	293.15	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	298.25	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	303.35	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	308.55	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	313.75	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	318.85	Surface Tension of Liquid Fluorocompounds

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.60; 304.77]	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			5.83700e+01
Coefficient B			5.12600e-01
Coefficient C			-3.56000e-04
Coefficient D			8.98000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.60	J/mol×K	273.00	Calculated Property
Cp,gas	199.14	J/mol×K	353.78	Calculated Property
Cp,gas	221.27	J/mol×K	434.56	Calculated Property
Cp,gas	240.28	J/mol×K	515.33	Calculated Property
Cp,gas	256.45	J/mol×K	596.11	Calculated Property
Cp,gas	270.08	J/mol×K	676.89	Calculated Property
Cp,gas	281.44	J/mol×K	757.67	Calculated Property
Cp,gas	290.82	J/mol×K	838.44	Calculated Property
Cp,gas	298.50	J/mol×K	919.22	Calculated Property
Cp,gas	304.77	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, pentafluoro(trifluoromethyl)-.

Mixtures

• Benzene, pentafluoro(trifluoromethyl)- + Water

Sources

• Crippen Method
• Crippen Method
• Solubility of water in fluorocarbons: Experimental and COSMO-RS prediction results
• Densities and Vapor Pressures of Highly Fluorinated Compounds
• Surface Tension of Liquid Fluorocompounds
• Viscosities of Liquid Fluorocompounds
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.