Chemical Properties of Pentadecafluorooctanoic acid, undecyl ester

InChI

InChI=1S/C19H23F15O2/c1-2-3-4-5-6-7-8-9-10-11-36-12(35)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h2-11H2,1H3

InChI Key

FVSCXMNVWQIEAW-UHFFFAOYSA-N

Formula

C19H23F15O2

SMILES

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

Molecular Weight¹

568.36

• 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°	-3027.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-3683.19	kJ/mol	Joback Calculated Property
ΔfusH°	42.05	kJ/mol	Joback Calculated Property
ΔvapH°	45.72	kJ/mol	Joback Calculated Property
log10WS	-9.18		Crippen Calculated Property
logPoct/wat	8.434		Crippen Calculated Property
McVol	312.560	ml/mol	McGowan Calculated Property
Pc	798.89	kPa	Joback Calculated Property
Inp	[1556.00; 1556.00]
Inp	1556.00		NIST
Inp	1556.00		NIST
Tboil	676.85	K	Joback Calculated Property
Tc	828.78	K	Joback Calculated Property
Tfus	401.84	K	Joback Calculated Property
Vc	1.317	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[979.05; 1059.37]	J/mol×K	[676.85; 828.78]
Cp,gas	979.05	J/mol×K	676.85	Joback Calculated Property
Cp,gas	994.68	J/mol×K	702.17	Joback Calculated Property
Cp,gas	1009.31	J/mol×K	727.49	Joback Calculated Property
Cp,gas	1023.03	J/mol×K	752.82	Joback Calculated Property
Cp,gas	1035.90	J/mol×K	778.14	Joback Calculated Property
Cp,gas	1047.99	J/mol×K	803.46	Joback Calculated Property
Cp,gas	1059.37	J/mol×K	828.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, undecyl ester.

Sources

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

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