Chemical Properties of Perfluoro(methylcyclohexane) (CAS 355-02-2)

InChI

InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12

InChI Key

QIROQPWSJUXOJC-UHFFFAOYSA-N

Formula

C7F14

SMILES

FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

Molecular Weight¹

350.05

CAS

355-02-2

Other Names

• (Trifluoromethyl)undecafluorocyclohexane
• (trifluoromethyl)undecaflurocyclohexane
• 1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(trifluoromethyl)cyclohexane
• Cyclohexane, 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)-
• Cyclohexane, 1-trifluoromethyl-1,2,2,3,3,4,4,5,5,6,6-undecafluoro-
• Flutec PP2
• NSC 4779
• UNDECAFLUORO(TRIFLUOROMETHYL)-CYCLOHEXANE
• cyclohexane, tetradecafluoromethyl-
• cyclohexane, undecafluoro(trifluoromethyl)-
• perfluoromethylcyclohexane
• tetradecafluoromethylcyclohexane
• undecafluoro(trifluoromethyl)cyclohexane

• 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).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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_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).
• 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).
• 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).
• 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	0.4910		KDB
ΔcH°liquid	-1844.90 ± 0.46	kJ/mol	NIST
EA	[1.02; 1.06]	eV
EA	1.02 ± 0.06	eV	NIST
EA	1.06 ± 0.13	eV	NIST
ΔfH°gas	[-2898.00; -2897.20]	kJ/mol
ΔfH°gas	-2898.00	kJ/mol	KDB
ΔfH°gas	-2897.20 ± 3.80	kJ/mol	NIST
ΔfH°liquid	-2931.10 ± 3.80	kJ/mol	NIST
ΔfusH°	8.99	kJ/mol	Joback Calculated Property
ΔvapH°	[33.90; 34.10]	kJ/mol
ΔvapH°	34.00	kJ/mol	NIST
ΔvapH°	34.10 ± 0.30	kJ/mol	NIST
ΔvapH°	33.90 ± 0.20	kJ/mol	NIST
IE	12.73	eV	Relay (1.0) Calculated Property
log10WS	-5.67		Relay (1.0) Calculated Property
logPoct/wat	4.447		Crippen Calculated Property
McVol	123.410	ml/mol	McGowan Calculated Property
Pc	[2018.71; 2019.00]	kPa
Pc	2019.00	kPa	KDB
Pc	Outlier 2018.71 ± 10.00	kPa	NIST
Pc	2019.00 ± 3.00	kPa	NIST
Pc	2019.00 ± 3.00	kPa	NIST
Pc	2019.00 ± 3.00	kPa	NIST
Pc	2019.00 ± 3.00	kPa	NIST
Pc	2019.00 ± 3.00	kPa	NIST
ρc	612.59 ± 7.00	kg/m3	NIST
Inp	[290.00; 303.00]
Inp	303.00		NIST
Inp	290.00		NIST
Tboil	[349.00; 349.56]	K
Tboil	349.50	K	KDB
Tboil	349.00	K	NIST
Tboil	349.30	K	NIST
Tboil	349.56 ± 0.10	K	NIST
Tboil	349.53 ± 0.20	K	NIST
Tboil	349.55 ± 0.40	K	NIST
Tboil	349.20 ± 2.00	K	NIST
Tc	[485.90; 485.91]	K
Tc	485.91	K	KDB
Tc	485.91 ± 0.30	K	NIST
Tc	485.90 ± 0.20	K	NIST
Tc	485.90 ± 0.20	K	NIST
Tc	485.90 ± 0.20	K	NIST
Tc	485.90 ± 0.20	K	NIST
Tc	485.90 ± 0.20	K	NIST
Tfus	228.40	K	KDB
Vc	0.570	m3/kmol	KDB
Zc	0.2848520		KDB

Cheméo can also estimate Standard Gibbs free energy of formation 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	[353.10; 375.00]	J/mol×K	[298.00; 340.00]
Cp,liquid	353.10	J/mol×K	298.00	NIST
Cp,liquid	354.00	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	359.00	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	364.00	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	370.00	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	375.00	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
η	[0.0008074; 0.0010313]	Pa×s	[319.20; 333.11]
η	0.0010313	Pa×s	319.20	Shear Viscosities of Methycyclohexane, Perfluoromethylcyclohexane, and Their Mixtures in the Vicinity of the Upper Critical Mixing Temperature. 1. Critical Isopleth and Coexistence Curve
η	0.0010114	Pa×s	320.16	Shear Viscosities of Methycyclohexane, Perfluoromethylcyclohexane, and Their Mixtures in the Vicinity of the Upper Critical Mixing Temperature. 1. Critical Isopleth and Coexistence Curve
η	0.0009582	Pa×s	323.18	Shear Viscosities of Methycyclohexane, Perfluoromethylcyclohexane, and Their Mixtures in the Vicinity of the Upper Critical Mixing Temperature. 1. Critical Isopleth and Coexistence Curve
η	0.0008787	Pa×s	328.13	Shear Viscosities of Methycyclohexane, Perfluoromethylcyclohexane, and Their Mixtures in the Vicinity of the Upper Critical Mixing Temperature. 1. Critical Isopleth and Coexistence Curve
η	0.0008074	Pa×s	333.11	Shear Viscosities of Methycyclohexane, Perfluoromethylcyclohexane, and Their Mixtures in the Vicinity of the Upper Critical Mixing Temperature. 1. Critical Isopleth and Coexistence Curve
ΔsubH	51.60	kJ/mol	234.00	NIST
ΔvapH	[30.20; 33.80]	kJ/mol	[310.50; 450.50]
ΔvapH	33.30	kJ/mol	310.50	NIST
ΔvapH	33.80	kJ/mol	325.50	NIST
ΔvapH	33.40	kJ/mol	345.00	NIST
ΔvapH	33.30	kJ/mol	345.00	NIST
ΔvapH	33.10	kJ/mol	359.50	NIST
ΔvapH	30.20	kJ/mol	450.50	NIST
ν	[0.0000007; 0.0000009]	m2/s	[298.15; 318.15]
ν	0.0000009	m2/s	298.15	Viscosities of Liquid Fluorocompounds
ν	0.0000008	m2/s	303.15	Viscosities of Liquid Fluorocompounds
ν	0.0000008	m2/s	308.15	Viscosities of Liquid Fluorocompounds
ν	0.0000007	m2/s	313.15	Viscosities of Liquid Fluorocompounds
ν	0.0000007	m2/s	318.15	Viscosities of Liquid Fluorocompounds
ρl	[1656.30; 1841.00]	kg/m3	[278.15; 343.15]
ρl	1841.00	kg/m3	278.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1827.60	kg/m3	283.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1814.00	kg/m3	288.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1800.40	kg/m3	293.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1789.00	kg/m3	298.00	KDB
ρl	1786.60	kg/m3	298.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1772.70	kg/m3	303.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1758.70	kg/m3	308.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1744.50	kg/m3	313.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1730.30	kg/m3	318.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1715.80	kg/m3	323.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1701.20	kg/m3	328.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1686.40	kg/m3	333.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1671.50	kg/m3	338.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
ρl	1656.30	kg/m3	343.15	Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
γ	[0.01; 0.02]	N/m	[286.75; 313.65]
γ	0.02	N/m	286.75	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	293.25	Surface Tension of Liquid Fluorocompounds
γ	0.02	N/m	298.35	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	303.35	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	308.55	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	313.65	Surface Tension of Liquid Fluorocompounds

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.94; 543.27]	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			-2.78530e+02
Coefficient B			2.70080e+00
Coefficient C			-3.75800e-03
Coefficient D			1.87900e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.94	J/mol×K	273.00	Calculated Property
Cp,gas	289.81	J/mol×K	353.78	Calculated Property
Cp,gas	339.65	J/mol×K	434.56	Calculated Property
Cp,gas	372.43	J/mol×K	515.33	Calculated Property
Cp,gas	394.07	J/mol×K	596.11	Calculated Property
Cp,gas	410.52	J/mol×K	676.89	Calculated Property
Cp,gas	427.73	J/mol×K	757.67	Calculated Property
Cp,gas	451.62	J/mol×K	838.44	Calculated Property
Cp,gas	488.16	J/mol×K	919.22	Calculated Property
Cp,gas	543.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.05; 202.64]	kPa	[252.15; 414.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.17838e+01
Coefficient B			-2.34793e+03
Coefficient C			-5.20770e+01
Temperature range, min.			252.15
Temperature range, max.			414.84
Pvap	1.05	kPa	252.15	Calculated Property
Pvap	2.78	kPa	270.23	Calculated Property
Pvap	6.32	kPa	288.30	Calculated Property
Pvap	12.82	kPa	306.38	Calculated Property
Pvap	23.66	kPa	324.46	Calculated Property
Pvap	40.45	kPa	342.53	Calculated Property
Pvap	64.96	kPa	360.61	Calculated Property
Pvap	98.99	kPa	378.69	Calculated Property
Pvap	144.31	kPa	396.76	Calculated Property
Pvap	202.64	kPa	414.84	Calculated Property
Pvap	[18.55; 1906.00]	kPa	[306.00; 483.38]	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			2.96012e+02
Coefficient B			-1.49161e+04
Coefficient C			-4.34642e+01
Coefficient D			4.72597e-05
Coefficient E			0.00000e+00
Temperature range, min.			306.00
Temperature range, max.			483.38
Pvap	18.55	kPa	306.00	Calculated Property
Pvap	42.33	kPa	325.71	Calculated Property
Pvap	83.94	kPa	345.42	Calculated Property
Pvap	150.07	kPa	365.13	Calculated Property
Pvap	248.85	kPa	384.84	Calculated Property
Pvap	391.34	kPa	404.54	Calculated Property
Pvap	593.99	kPa	424.25	Calculated Property
Pvap	882.45	kPa	443.96	Calculated Property
Pvap	1297.64	kPa	463.67	Calculated Property
Pvap	1906.00	kPa	483.38	Calculated Property
Pvap	[19.92; 270.00]	kPa	[305.77; 384.24]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36931e+01
Coefficient B			-2.60781e+03
Coefficient C			-6.20770e+01
Reference			Good, Douslin, et al., 1959
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			305.77
Temperature range, max.			384.24
Pvap	19.92	kPa	305.77	Calculated Property
Pvap	28.83	kPa	314.49	Calculated Property
Pvap	40.71	kPa	323.21	Calculated Property
Pvap	56.22	kPa	331.93	Calculated Property
Pvap	76.07	kPa	340.65	Calculated Property
Pvap	101.07	kPa	349.36	Calculated Property
Pvap	132.05	kPa	358.08	Calculated Property
Pvap	169.90	kPa	366.80	Calculated Property
Pvap	215.57	kPa	375.52	Calculated Property
Pvap	270.00	kPa	384.24	Calculated Property

Similar Compounds

Find more compounds similar to Perfluoro(methylcyclohexane).

Mixtures

• Perfluoro(methylcyclohexane) + Carbon dioxide
• Perfluoro(methylcyclohexane) + Water
• Perfluoro(methylcyclohexane) + Methane
• Perfluoro(methylcyclohexane) + Decane
• Perfluoro(methylcyclohexane) + Methane + Decane
• 2-PROPANOL, 1,1,1,3,3,3-HEXAFLUORO- + Perfluoro(methylcyclohexane) + Water
• 2-PROPANOL, 1,1,1,3,3,3-HEXAFLUORO- + Perfluoro(methylcyclohexane) + Methyl Alcohol
• Perfluoro(methylcyclohexane) + Cyclohexane, methyl-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Low pressure solubility and thermodynamics of solvation of oxygen, carbon dioxide, and carbon monoxide in fluorinated liquids
• Solubility of water in fluorocarbons: Experimental and COSMO-RS prediction results
• Experimental Data on Binary and Ternary Mixtures of Perfluoromethylcyclohexane with Methane and n-Decane at 373.15 K
• Shear Viscosities of Methycyclohexane, Perfluoromethylcyclohexane, and Their Mixtures in the Vicinity of the Upper Critical Mixing Temperature. 1. Critical Isopleth and Coexistence Curve
• Surface Tension of Liquid Fluorocompounds
• Liquid Liquid Equilibria in Ternary Systems of Hexafluoroisopropanol + Perfluorocarbon + Water or Methanol at 298.15 K
• 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

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