Chemical Properties of Hexanoic acid, perfluoro-

InChI

InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)

InChI Key

PXUULQAPEKKVAH-UHFFFAOYSA-N

Formula

C6HF11O2

SMILES

O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

314.05

Other Names

• 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid
• perfluoro-1-pentanecarboxylic acid
• perfluorohexanoic acid
• undecafluorohexanoic acid

• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• 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

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
Psub	[1.26e-03; 0.04]	kPa	[263.15; 290.15]
Psub	1.26e-03	kPa	263.15	Ambient Temperature Vapor Pressure and Adsorption Capacity for (Perfluorooctyl) Ethylene, 3-(Perfluorobutyl)propanol, Perfluorohexanoic Acid, Ethyl Perfluorooctanoate, and Perfluoro-3,6-dioxaheptanoic Acid
Psub	2.94e-03	kPa	270.15	Ambient Temperature Vapor Pressure and Adsorption Capacity for (Perfluorooctyl) Ethylene, 3-(Perfluorobutyl)propanol, Perfluorohexanoic Acid, Ethyl Perfluorooctanoate, and Perfluoro-3,6-dioxaheptanoic Acid
Psub	7.91e-03	kPa	278.15	Ambient Temperature Vapor Pressure and Adsorption Capacity for (Perfluorooctyl) Ethylene, 3-(Perfluorobutyl)propanol, Perfluorohexanoic Acid, Ethyl Perfluorooctanoate, and Perfluoro-3,6-dioxaheptanoic Acid
Psub	0.01	kPa	283.15	Ambient Temperature Vapor Pressure and Adsorption Capacity for (Perfluorooctyl) Ethylene, 3-(Perfluorobutyl)propanol, Perfluorohexanoic Acid, Ethyl Perfluorooctanoate, and Perfluoro-3,6-dioxaheptanoic Acid
Psub	0.02	kPa	285.15	Ambient Temperature Vapor Pressure and Adsorption Capacity for (Perfluorooctyl) Ethylene, 3-(Perfluorobutyl)propanol, Perfluorohexanoic Acid, Ethyl Perfluorooctanoate, and Perfluoro-3,6-dioxaheptanoic Acid
Psub	0.04	kPa	290.15	Ambient Temperature Vapor Pressure and Adsorption Capacity for (Perfluorooctyl) Ethylene, 3-(Perfluorobutyl)propanol, Perfluorohexanoic Acid, Ethyl Perfluorooctanoate, and Perfluoro-3,6-dioxaheptanoic Acid

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.27; 424.77]	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			-5.33300e+01
Coefficient B			1.38340e+00
Coefficient C			-1.41460e-03
Coefficient D			5.09300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.27	J/mol×K	273.00	Calculated Property
Cp,gas	281.59	J/mol×K	353.78	Calculated Property
Cp,gas	322.50	J/mol×K	434.56	Calculated Property
Cp,gas	353.61	J/mol×K	515.33	Calculated Property
Cp,gas	376.54	J/mol×K	596.11	Calculated Property
Cp,gas	392.89	J/mol×K	676.89	Calculated Property
Cp,gas	404.28	J/mol×K	757.67	Calculated Property
Cp,gas	412.32	J/mol×K	838.44	Calculated Property
Cp,gas	418.61	J/mol×K	919.22	Calculated Property
Cp,gas	424.77	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, perfluoro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Ambient Temperature Vapor Pressure and Adsorption Capacity for (Perfluorooctyl) Ethylene, 3-(Perfluorobutyl)propanol, Perfluorohexanoic Acid, Ethyl Perfluorooctanoate, and Perfluoro-3,6-dioxaheptanoic Acid
• Joback Method
• McGowan Method
• NIST Webbook

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