Chemical Properties of Pentadecafluorooctanoic acid, naphth-2-ylmethyl ester

InChI

InChI=1S/C19H9F15O2/c20-13(21,12(35)36-8-9-5-6-10-3-1-2-4-11(10)7-9)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h1-7H,8H2

InChI Key

KEGLMDXZOJBLEH-UHFFFAOYSA-N

Formula

C19H9F15O2

SMILES

O=C(OCc1ccc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

554.25

• 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°	-2817.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-3267.06	kJ/mol	Joback Calculated Property
ΔfusH°	32.73	kJ/mol	Joback Calculated Property
ΔvapH°	50.30	kJ/mol	Joback Calculated Property
log10WS	-8.91		Crippen Calculated Property
logPoct/wat	7.257		Crippen Calculated Property
McVol	269.340	ml/mol	McGowan Calculated Property
Pc	1128.35	kPa	Joback Calculated Property
Inp	[1714.00; 1714.00]
Inp	1714.00		NIST
Inp	1714.00		NIST
Tboil	727.49	K	Joback Calculated Property
Tc	900.62	K	Joback Calculated Property
Tfus	473.48	K	Joback Calculated Property
Vc	1.131	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[832.94; 887.29]	J/mol×K	[727.49; 900.62]
Cp,gas	832.94	J/mol×K	727.49	Joback Calculated Property
Cp,gas	843.97	J/mol×K	756.35	Joback Calculated Property
Cp,gas	854.06	J/mol×K	785.20	Joback Calculated Property
Cp,gas	863.31	J/mol×K	814.06	Joback Calculated Property
Cp,gas	871.86	J/mol×K	842.91	Joback Calculated Property
Cp,gas	879.81	J/mol×K	871.77	Joback Calculated Property
Cp,gas	887.29	J/mol×K	900.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, naphth-2-ylmethyl ester.

Sources

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

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