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

InChI

InChI=1S/C29H38F2O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-34-28(32)23-17-13-14-18-24(23)29(33)35-22(2)27-25(30)19-16-20-26(27)31/h13-14,16-20,22H,3-12,15,21H2,1-2H3

InChI Key

OGIMVSAYKFNGRA-UHFFFAOYSA-N

Formula

C29H38F2O4

SMILES

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

Molecular Weight¹

488.61

• 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°	-470.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1090.34	kJ/mol	Joback Calculated Property
ΔfusH°	65.99	kJ/mol	Joback Calculated Property
ΔvapH°	102.98	kJ/mol	Joback Calculated Property
log10WS	-10.13		Crippen Calculated Property
logPoct/wat	8.351		Crippen Calculated Property
McVol	390.370	ml/mol	McGowan Calculated Property
Pc	877.91	kPa	Joback Calculated Property
Inp	[3248.00; 3248.00]
Inp	3248.00		NIST
Inp	3248.00		NIST
Tboil	1081.90	K	Joback Calculated Property
Tc	1328.55	K	Joback Calculated Property
Tfus	637.49	K	Joback Calculated Property
Vc	1.522	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1333.17; 1392.88]	J/mol×K	[1081.90; 1328.55]
Cp,gas	1333.17	J/mol×K	1081.90	Joback Calculated Property
Cp,gas	1347.43	J/mol×K	1123.01	Joback Calculated Property
Cp,gas	1359.85	J/mol×K	1164.12	Joback Calculated Property
Cp,gas	1370.53	J/mol×K	1205.23	Joback Calculated Property
Cp,gas	1379.54	J/mol×K	1246.33	Joback Calculated Property
Cp,gas	1386.96	J/mol×K	1287.44	Joback Calculated Property
Cp,gas	1392.88	J/mol×K	1328.55	Joback Calculated Property

Similar Compounds

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

Sources

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

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