Chemical Properties of Perfluorooctane (CAS 307-34-6)

InChI

InChI=1S/C8F18/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26

InChI Key

YVBBRRALBYAZBM-UHFFFAOYSA-N

Formula

C8F18

SMILES

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

Molecular Weight¹

438.06

CAS

307-34-6

Other Names

• OCTADECAFLUOROOCTANE
• Octane, octadecafluoro-
• Perfluorooctanes
• n-Perfluorooctane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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).
• 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_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5497		Relay (1.0) Calculated Property
ΔfG°	-3467.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-3811.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.60	kJ/mol	Joback Calculated Property
ΔvapH°	[39.90; 41.20]	kJ/mol
ΔvapH°	41.16	kJ/mol	NIST
ΔvapH°	39.90	kJ/mol	NIST
ΔvapH°	41.20 ± 0.80	kJ/mol	NIST
ΔvapH°	41.10 ± 0.10	kJ/mol	NIST
IE	11.95	eV	Relay (1.0) Calculated Property
log10WS	-7.37		Relay (1.0) Calculated Property
logPoct/wat	5.923		Crippen Calculated Property
McVol	155.440	ml/mol	McGowan Calculated Property
Pc	1660.00	kPa	KDB
Inp	[341.00; 341.00]
Inp	341.00		NIST
Inp	341.00		NIST
Tboil	[372.50; 379.00]	K
Tboil	379.00	K	KDB
Tboil	377.20	K	NIST
Tboil	372.50 ± 0.50	K	NIST
Tboil	379.00	K	NIST
Tc	[502.00; 502.30]	K
Tc	502.00	K	KDB
Tc	502.30 ± 0.50	K	NIST
Tfus	254.20 ± 0.50	K	NIST
Vc	0.720	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[375.72; 449.13]	J/mol×K	[343.46; 449.37]
Cp,gas	375.72	J/mol×K	343.46	Joback Calculated Property
Cp,gas	389.83	J/mol×K	361.11	Joback Calculated Property
Cp,gas	403.16	J/mol×K	378.76	Joback Calculated Property
Cp,gas	415.73	J/mol×K	396.41	Joback Calculated Property
Cp,gas	427.56	J/mol×K	414.06	Joback Calculated Property
Cp,gas	438.69	J/mol×K	431.72	Joback Calculated Property
Cp,gas	449.13	J/mol×K	449.37	Joback Calculated Property
ΔfusH	9.58	kJ/mol	254.20	NIST
ΔvapH	[32.00; 39.50]	kJ/mol	[344.50; 470.00]
ΔvapH	39.50	kJ/mol	344.50	NIST
ΔvapH	33.38	kJ/mol	379.00	NIST
ΔvapH	32.00	kJ/mol	470.00	NIST
ν	[0.0000005; 0.0000007]	m2/s	[298.15; 318.15]
ν	0.0000007	m2/s	298.15	Viscosities of Liquid Fluorocompounds
ν	0.0000007	m2/s	303.15	Viscosities of Liquid Fluorocompounds
ν	0.0000006	m2/s	308.15	Viscosities of Liquid Fluorocompounds
ν	0.0000006	m2/s	313.15	Viscosities of Liquid Fluorocompounds
ν	0.0000005	m2/s	318.15	Viscosities of Liquid Fluorocompounds
Pvap	[6.10; 42.35]	kPa	[308.45; 352.86]
Pvap	6.10	kPa	308.45	Isothermal vapor-liquid equilibrium of R170 + n-perfluorooctane at 308 - 338 K: Measurement, equation of state modelling, and molecular simulation
Pvap	7.77	kPa	312.78	High-pressure phase equilibria data for mixtures involving ethene and perfluoro-n-octane from 293 to 353 K
Pvap	10.10	kPa	318.42	Isothermal vapor-liquid equilibrium of R170 + n-perfluorooctane at 308 - 338 K: Measurement, equation of state modelling, and molecular simulation
Pvap	12.42	kPa	322.79	High-pressure phase equilibria data for mixtures involving ethene and perfluoro-n-octane from 293 to 353 K
Pvap	12.80	kPa	323.48	Isothermal vapor-liquid equilibrium of R170 + n-perfluorooctane at 308 - 338 K: Measurement, equation of state modelling, and molecular simulation
Pvap	16.00	kPa	328.48	Isothermal vapor-liquid equilibrium of R170 + n-perfluorooctane at 308 - 338 K: Measurement, equation of state modelling, and molecular simulation
Pvap	19.23	kPa	332.87	High-pressure phase equilibria data for mixtures involving ethene and perfluoro-n-octane from 293 to 353 K
Pvap	24.30	kPa	338.43	Isothermal vapor-liquid equilibrium of R170 + n-perfluorooctane at 308 - 338 K: Measurement, equation of state modelling, and molecular simulation
Pvap	29.02	kPa	342.87	High-pressure phase equilibria data for mixtures involving ethene and perfluoro-n-octane from 293 to 353 K
Pvap	42.35	kPa	352.86	High-pressure phase equilibria data for mixtures involving ethene and perfluoro-n-octane from 293 to 353 K
n0	1.26800		293.00	Binary Vapor-Liquid Equilibrium Data for Perfluorooctane with Light Gases (Oxygen, Nitrogen, and Methane)
ρl	[1709.52; 1770.70]	kg/m3	[289.03; 312.58]
ρl	1770.70	kg/m3	289.03	Low pressure solubility and thermodynamics of solvation of oxygen, carbon dioxide, and carbon monoxide in fluorinated liquids
ρl	1760.93	kg/m3	292.84	Low pressure solubility and thermodynamics of solvation of oxygen, carbon dioxide, and carbon monoxide in fluorinated liquids
ρl	1750.06	kg/m3	297.27	Low pressure solubility and thermodynamics of solvation of oxygen, carbon dioxide, and carbon monoxide in fluorinated liquids
ρl	1754.28	kg/m3	298.15	Liquid-liquid equilibrium data for binary perfluoroalkane (C6 and C8) + n-alkane systems
ρl	1755.00	kg/m3	298.15	VLE measurements and modelling for the binary systems of (CF4 + C6F14) and (CF4 + C8F18)
ρl	1755.00	kg/m3	298.15	Phase Equilibria for Perfluoroethane + (n-Perfluorohexane or n-Perfluorooctane) Binary Systems: Measurement and Modeling
ρl	1734.49	kg/m3	303.15	Low pressure solubility and thermodynamics of solvation of oxygen, carbon dioxide, and carbon monoxide in fluorinated liquids
ρl	1722.71	kg/m3	307.51	Low pressure solubility and thermodynamics of solvation of oxygen, carbon dioxide, and carbon monoxide in fluorinated liquids
ρl	1709.52	kg/m3	312.58	Low pressure solubility and thermodynamics of solvation of oxygen, carbon dioxide, and carbon monoxide in fluorinated liquids
csound,fluid	[479.24; 640.32]	m/s	[278.15; 338.15]
csound,fluid	640.32	m/s	278.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	610.05	m/s	288.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	581.94	m/s	298.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	552.33	m/s	308.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	524.10	m/s	318.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	508.43	m/s	328.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
csound,fluid	479.24	m/s	338.15	Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
γ	[0.01; 0.02]	N/m	[288.05; 323.85]
γ	0.02	N/m	288.05	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	293.15	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	298.35	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	303.45	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	308.45	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	318.75	Surface Tension of Liquid Fluorocompounds
γ	0.01	N/m	323.85	Surface Tension of Liquid Fluorocompounds

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[6.06; 1504.18]	kPa	[308.15; 495.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.37506e+01
Coefficient B			-7.19362e+03
Coefficient C			-8.56563e+00
Coefficient D			5.06612e-06
Temperature range, min.			308.15
Temperature range, max.			495.15
Pvap	6.06	kPa	308.15	Calculated Property
Pvap	16.18	kPa	328.93	Calculated Property
Pvap	37.71	kPa	349.71	Calculated Property
Pvap	78.66	kPa	370.48	Calculated Property
Pvap	149.75	kPa	391.26	Calculated Property
Pvap	264.40	kPa	412.04	Calculated Property
Pvap	438.40	kPa	432.82	Calculated Property
Pvap	689.61	kPa	453.59	Calculated Property
Pvap	1037.74	kPa	474.37	Calculated Property
Pvap	1504.18	kPa	495.15	Calculated Property

Similar Compounds

Find more compounds similar to Perfluorooctane.

Mixtures

• 1H,1H,7H-Dodecafluoro-1-heptanol + Perfluorooctane
• Octane + Perfluorooctane
• Ethane + Perfluorooctane
• Perfluorooctane + Ethylene
• Tetrafluoromethane + Perfluorooctane
• Carbon dioxide + Perfluorooctane
• Carbon monoxide + Perfluorooctane
• n-Hexane + Perfluorooctane
• Ethane, hexafluoro- + Perfluorooctane
• Nitrogen + Perfluorooctane
• Perfluorooctane + Oxygen
• Methane + Perfluorooctane
• Perfluorooctane + Heptane
• Perfluorooctane + Nonane
• Perfluorooctane + Pentane, 2,2,4-trimethyl-
• Decane + Perfluorooctane
• Perfluorooctane + Cyclohexane
• Perfluorooctane + Carbon Tetrachloride
• Trichloromethane + Perfluorooctane
• Methylene chloride + Perfluorooctane

Find more mixtures with Perfluorooctane.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Liquid liquid equilibrium of (perfluoroalkane + alkane) binary mixtures
• Liquid liquid equilibrium of (1H,1H,7H-perfluoroheptan-1-ol + perfluoroalkane) binary mixtures
• Properties of saturated fluorocarbons: Experimental data and modeling using perturbed-chain-SAFT
• Liquid-liquid equilibrium data for binary perfluoroalkane (C6 and C8) + n-alkane systems
• Perfluoroalkanes and perfluoroalkylalkane surfactants in solution: Partial molar volumes in n-octane and hetero-SAFT-VR modelling
• Isothermal vapor-liquid equilibrium of R170 + n-perfluorooctane at 308 - 338 K: Measurement, equation of state modelling, and molecular simulation
• High-pressure phase equilibria data for mixtures involving ethene and perfluoro-n-octane from 293 to 353 K
• VLE measurements and modelling for the binary systems of (CF4 + C6F14) and (CF4 + C8F18)
• Low pressure solubility and thermodynamics of solvation of oxygen, carbon dioxide, and carbon monoxide in fluorinated liquids
• Thermodynamic study of (perfluoroalkane + alkane) mixtures: Excess and solvation enthalpies
• (Liquid + liquid) equilibria of perfluorocarbons with fluorinated ionic liquids
• Phase Equilibria for Perfluoroethane + (n-Perfluorohexane or n-Perfluorooctane) Binary Systems: Measurement and Modeling
• Binary Vapor-Liquid Equilibrium Data for Perfluorooctane with Light Gases (Oxygen, Nitrogen, and Methane)
• Phase Separation in Binary Mixtures Containing Linear Perfluoroalkanes
• Surface Tension of Liquid Fluorocompounds
• Viscosities of Liquid Fluorocompounds
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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