Chemical Properties of Phthalic acid, tridecyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C29H37F3O5/c1-2-3-4-5-6-7-8-9-10-11-14-21-35-27(33)25-15-12-13-16-26(25)28(34)36-22-23-17-19-24(20-18-23)37-29(30,31)32/h12-13,15-20H,2-11,14,21-22H2,1H3

InChI Key

KLFPLAIVLZMIRW-UHFFFAOYSA-N

Formula

C29H37F3O5

SMILES

CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

522.60

• 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°	-755.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1410.67	kJ/mol	Joback Calculated Property
ΔfusH°	66.76	kJ/mol	Joback Calculated Property
ΔvapH°	103.00	kJ/mol	Joback Calculated Property
log10WS	-10.37		Crippen Calculated Property
logPoct/wat	8.410		Crippen Calculated Property
McVol	398.010	ml/mol	McGowan Calculated Property
Pc	859.48	kPa	Joback Calculated Property
Inp	[3187.00; 3187.00]
Inp	3187.00		NIST
Inp	3187.00		NIST
Tboil	1095.82	K	Joback Calculated Property
Tc	1348.89	K	Joback Calculated Property
Tfus	665.21	K	Joback Calculated Property
Vc	1.552	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1366.88; 1423.84]	J/mol×K	[1095.82; 1348.89]
Cp,gas	1366.88	J/mol×K	1095.82	Joback Calculated Property
Cp,gas	1380.54	J/mol×K	1138.00	Joback Calculated Property
Cp,gas	1392.39	J/mol×K	1180.18	Joback Calculated Property
Cp,gas	1402.53	J/mol×K	1222.36	Joback Calculated Property
Cp,gas	1411.09	J/mol×K	1264.54	Joback Calculated Property
Cp,gas	1418.15	J/mol×K	1306.72	Joback Calculated Property
Cp,gas	1423.84	J/mol×K	1348.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, tridecyl 4-trifluoromethoxybenzyl ester.

Sources

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

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