Chemical Properties of Pentyl perfluorohexanoate

InChI

InChI=1S/C11H11F11O2/c1-2-3-4-5-24-6(23)7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h2-5H2,1H3

InChI Key

HFOZGAUKNAKOOE-UHFFFAOYSA-N

Formula

C11H11F11O2

SMILES

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

Molecular Weight¹

384.19

Other Names

• 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid pentyl ester

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-2320.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-2716.13	kJ/mol	Joback Calculated Property
ΔfusH°	23.84	kJ/mol	Joback Calculated Property
ΔvapH°	33.77	kJ/mol	Joback Calculated Property
log10WS	-5.21		Crippen Calculated Property
logPoct/wat	4.823		Crippen Calculated Property
McVol	192.760	ml/mol	McGowan Calculated Property
Pc	1447.94	kPa	Joback Calculated Property
Inp	[935.60; 936.00]
Inp	936.00		NIST
Inp	935.60		NIST
Tboil	503.19	K	Joback Calculated Property
Tc	642.20	K	Joback Calculated Property
Tfus	304.48	K	Joback Calculated Property
Vc	0.819	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[519.01; 586.84]	J/mol×K	[503.19; 642.20]
Cp,gas	519.01	J/mol×K	503.19	Joback Calculated Property
Cp,gas	532.16	J/mol×K	526.36	Joback Calculated Property
Cp,gas	544.52	J/mol×K	549.53	Joback Calculated Property
Cp,gas	556.14	J/mol×K	572.70	Joback Calculated Property
Cp,gas	567.04	J/mol×K	595.87	Joback Calculated Property
Cp,gas	577.26	J/mol×K	619.03	Joback Calculated Property
Cp,gas	586.84	J/mol×K	642.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentyl perfluorohexanoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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