Chemical Properties of Pentadecafluorooctanoic acid, octadecyl ester

InChI

InChI=1S/C26H37F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-43-19(42)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-18H2,1H3

InChI Key

WTSTWJMWBBUFJP-UHFFFAOYSA-N

Formula

C26H37F15O2

SMILES

CCCCCCCCCCCCCCCCCCOC(=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

666.55

• 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°	-2968.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-3827.67	kJ/mol	Joback Calculated Property
ΔfusH°	60.19	kJ/mol	Joback Calculated Property
ΔvapH°	61.30	kJ/mol	Joback Calculated Property
log10WS	-12.11		Crippen Calculated Property
logPoct/wat	11.165		Crippen Calculated Property
McVol	411.190	ml/mol	McGowan Calculated Property
Pc	564.20	kPa	Joback Calculated Property
Inp	[2181.00; 2181.00]
Inp	2181.00		NIST
Inp	2181.00		NIST
Tboil	837.01	K	Joback Calculated Property
Tc	1043.47	K	Joback Calculated Property
Tfus	480.73	K	Joback Calculated Property
Vc	1.708	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1395.25; 1505.29]	J/mol×K	[837.01; 1043.47]
Cp,gas	1395.25	J/mol×K	837.01	Joback Calculated Property
Cp,gas	1416.24	J/mol×K	871.42	Joback Calculated Property
Cp,gas	1435.91	J/mol×K	905.83	Joback Calculated Property
Cp,gas	1454.44	J/mol×K	940.24	Joback Calculated Property
Cp,gas	1472.05	J/mol×K	974.65	Joback Calculated Property
Cp,gas	1488.93	J/mol×K	1009.06	Joback Calculated Property
Cp,gas	1505.29	J/mol×K	1043.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, octadecyl ester.

Sources

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

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