Chemical Properties of Phthalic acid, tetradecyl 2,4,5-trifluorobenzyl ester

InChI

InChI=1S/C29H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-35-28(33)23-16-13-14-17-24(23)29(34)36-21-22-19-26(31)27(32)20-25(22)30/h13-14,16-17,19-20H,2-12,15,18,21H2,1H3

InChI Key

VIOQWBFQWCYOCY-UHFFFAOYSA-N

Formula

C29H37F3O4

SMILES

CCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)c(F)cc1F

Molecular Weight¹

506.60

• 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°	-672.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1292.64	kJ/mol	Joback Calculated Property
ΔfusH°	72.21	kJ/mol	Joback Calculated Property
ΔvapH°	103.21	kJ/mol	Joback Calculated Property
log10WS	-10.50		Crippen Calculated Property
logPoct/wat	8.319		Crippen Calculated Property
McVol	392.140	ml/mol	McGowan Calculated Property
Pc	843.58	kPa	Joback Calculated Property
Inp	[3488.00; 3488.00]
Inp	3488.00		NIST
Inp	3488.00		NIST
Tboil	1086.59	K	Joback Calculated Property
Tc	1339.29	K	Joback Calculated Property
Tfus	665.60	K	Joback Calculated Property
Vc	1.546	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1338.15; 1395.86]	J/mol×K	[1086.59; 1339.29]
Cp,gas	1338.15	J/mol×K	1086.59	Joback Calculated Property
Cp,gas	1352.36	J/mol×K	1128.71	Joback Calculated Property
Cp,gas	1364.63	J/mol×K	1170.82	Joback Calculated Property
Cp,gas	1375.04	J/mol×K	1212.94	Joback Calculated Property
Cp,gas	1383.66	J/mol×K	1255.06	Joback Calculated Property
Cp,gas	1390.58	J/mol×K	1297.18	Joback Calculated Property
Cp,gas	1395.86	J/mol×K	1339.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, tetradecyl 2,4,5-trifluorobenzyl ester.

Sources

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

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