Chemical Properties of Hexyl perfluoropentanoate

InChI

InChI=1S/C11H13F9O2/c1-2-3-4-5-6-22-7(21)8(12,13)9(14,15)10(16,17)11(18,19)20/h2-6H2,1H3

InChI Key

FALKAIRAHKEYPI-UHFFFAOYSA-N

Formula

C11H13F9O2

SMILES

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

Molecular Weight¹

348.21

Other Names

• 2,2,3,3,4,4,5,5,5-Nonafluoro-pentanoic acid hexyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2391.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.68	kJ/mol	Joback Calculated Property
ΔvapH°	58.01	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.70		Relay (1.0) Calculated Property
logPoct/wat	4.578		Crippen Calculated Property
McVol	189.220	ml/mol	McGowan Calculated Property
Pc	1481.57	kPa	Joback Calculated Property
Inp	[976.90; 977.00]
Inp	977.00		NIST
Inp	976.90		NIST
Tboil	441.97	K	Relay (1.0) Calculated Property
Tc	562.24	K	Relay (1.0) Calculated Property
Tfus	217.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[323.12; 664.44]	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			-2.47750e+01
Coefficient B			1.60342e+00
Coefficient C			-1.31480e-03
Coefficient D			4.00600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	323.12	J/mol×K	273.00	Calculated Property
Cp,gas	395.66	J/mol×K	353.78	Calculated Property
Cp,gas	456.59	J/mol×K	434.56	Calculated Property
Cp,gas	507.18	J/mol×K	515.33	Calculated Property
Cp,gas	548.69	J/mol×K	596.11	Calculated Property
Cp,gas	582.39	J/mol×K	676.89	Calculated Property
Cp,gas	609.55	J/mol×K	757.67	Calculated Property
Cp,gas	631.43	J/mol×K	838.44	Calculated Property
Cp,gas	649.31	J/mol×K	919.22	Calculated Property
Cp,gas	664.44	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexyl perfluoropentanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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