Chemical Properties of Pentadecafluorooctanoic acid, pentadecyl ester

InChI

InChI=1S/C23H31F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-40-16(39)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h2-15H2,1H3

InChI Key

KMCGZDZWUZTAKJ-UHFFFAOYSA-N

Formula

C23H31F15O2

SMILES

CCCCCCCCCCCCCCCOC(=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

624.47

• 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°	-2993.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-3765.75	kJ/mol	Joback Calculated Property
ΔfusH°	52.41	kJ/mol	Joback Calculated Property
ΔvapH°	54.62	kJ/mol	Joback Calculated Property
log10WS	-10.86		Crippen Calculated Property
logPoct/wat	9.995		Crippen Calculated Property
McVol	368.920	ml/mol	McGowan Calculated Property
Pc	650.11	kPa	Joback Calculated Property
Inp	[1908.00; 1908.00]
Inp	1908.00		NIST
Inp	1908.00		NIST
Tboil	768.37	K	Joback Calculated Property
Tc	945.50	K	Joback Calculated Property
Tfus	446.92	K	Joback Calculated Property
Vc	1.540	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1212.50; 1306.17]	J/mol×K	[768.37; 945.50]
Cp,gas	1212.50	J/mol×K	768.37	Joback Calculated Property
Cp,gas	1230.60	J/mol×K	797.89	Joback Calculated Property
Cp,gas	1247.55	J/mol×K	827.41	Joback Calculated Property
Cp,gas	1263.46	J/mol×K	856.94	Joback Calculated Property
Cp,gas	1278.45	J/mol×K	886.46	Joback Calculated Property
Cp,gas	1292.65	J/mol×K	915.98	Joback Calculated Property
Cp,gas	1306.17	J/mol×K	945.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, pentadecyl ester.

Sources

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

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