Chemical Properties of Phthalic acid, 1-(2,6-difluorophenyl)ethyl undecyl ester

InChI

InChI=1S/C27H34F2O4/c1-3-4-5-6-7-8-9-10-13-19-32-26(30)21-15-11-12-16-22(21)27(31)33-20(2)25-23(28)17-14-18-24(25)29/h11-12,14-18,20H,3-10,13,19H2,1-2H3

InChI Key

CGSKBXNSKXAQIL-UHFFFAOYSA-N

Formula

C27H34F2O4

SMILES

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

460.55

• 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°	-487.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1049.06	kJ/mol	Joback Calculated Property
ΔfusH°	60.81	kJ/mol	Joback Calculated Property
ΔvapH°	98.52	kJ/mol	Joback Calculated Property
log10WS	-9.30		Crippen Calculated Property
logPoct/wat	7.570		Crippen Calculated Property
McVol	362.190	ml/mol	McGowan Calculated Property
Pc	987.02	kPa	Joback Calculated Property
Inp	[3988.00; 3988.00]
Inp	3988.00		NIST
Inp	3988.00		NIST
Tboil	1036.14	K	Joback Calculated Property
Tc	1268.74	K	Joback Calculated Property
Tfus	614.95	K	Joback Calculated Property
Vc	1.409	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1210.34; 1271.06]	J/mol×K	[1036.14; 1268.74]
Cp,gas	1210.34	J/mol×K	1036.14	Joback Calculated Property
Cp,gas	1224.30	J/mol×K	1074.91	Joback Calculated Property
Cp,gas	1236.64	J/mol×K	1113.67	Joback Calculated Property
Cp,gas	1247.43	J/mol×K	1152.44	Joback Calculated Property
Cp,gas	1256.72	J/mol×K	1191.21	Joback Calculated Property
Cp,gas	1264.58	J/mol×K	1229.98	Joback Calculated Property
Cp,gas	1271.06	J/mol×K	1268.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 1-(2,6-difluorophenyl)ethyl undecyl ester.

Sources

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

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