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

InChI

InChI=1S/C25H30F2O4/c1-3-4-5-6-7-8-11-17-30-24(28)19-13-9-10-14-20(19)25(29)31-18(2)23-21(26)15-12-16-22(23)27/h9-10,12-16,18H,3-8,11,17H2,1-2H3

InChI Key

WOQKOLBZJFXOPQ-UHFFFAOYSA-N

Formula

C25H30F2O4

SMILES

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

Molecular Weight¹

432.50

• 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°	-504.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1007.78	kJ/mol	Joback Calculated Property
ΔfusH°	55.63	kJ/mol	Joback Calculated Property
ΔvapH°	94.07	kJ/mol	Joback Calculated Property
log10WS	-8.46		Crippen Calculated Property
logPoct/wat	6.790		Crippen Calculated Property
McVol	334.010	ml/mol	McGowan Calculated Property
Pc	1117.81	kPa	Joback Calculated Property
Inp	[2839.00; 2839.00]
Inp	2839.00		NIST
Inp	2839.00		NIST
Tboil	990.38	K	Joback Calculated Property
Tc	1213.51	K	Joback Calculated Property
Tfus	592.41	K	Joback Calculated Property
Vc	1.298	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1088.96; 1150.35]	J/mol×K	[990.38; 1213.51]
Cp,gas	1088.96	J/mol×K	990.38	Joback Calculated Property
Cp,gas	1102.67	J/mol×K	1027.57	Joback Calculated Property
Cp,gas	1114.93	J/mol×K	1064.76	Joback Calculated Property
Cp,gas	1125.79	J/mol×K	1101.94	Joback Calculated Property
Cp,gas	1135.28	J/mol×K	1139.13	Joback Calculated Property
Cp,gas	1143.45	J/mol×K	1176.32	Joback Calculated Property
Cp,gas	1150.35	J/mol×K	1213.51	Joback Calculated Property

Similar Compounds

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

Sources

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

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