Chemical Properties of Phthalic acid, tridecyl 2-trifluoromethylbenzyl ester

InChI

InChI=1S/C29H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-16-21-35-27(33)24-18-13-14-19-25(24)28(34)36-22-23-17-12-15-20-26(23)29(30,31)32/h12-15,17-20H,2-11,16,21-22H2,1H3

InChI Key

FACKADYFSYIGSG-UHFFFAOYSA-N

Formula

C29H37F3O4

SMILES

CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

506.60

Other Names

• Phthalic acid, tridecyl 2-trifluorobenzyl ester

• 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°	-650.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1278.45	kJ/mol	Joback Calculated Property
ΔfusH°	65.57	kJ/mol	Joback Calculated Property
ΔvapH°	100.59	kJ/mol	Joback Calculated Property
log10WS	-10.19		Crippen Calculated Property
logPoct/wat	8.530		Crippen Calculated Property
McVol	392.140	ml/mol	McGowan Calculated Property
Pc	868.11	kPa	Joback Calculated Property
Inp	[3214.00; 3214.00]
Inp	3214.00		NIST
Inp	3214.00		NIST
Tboil	1073.40	K	Joback Calculated Property
Tc	1318.13	K	Joback Calculated Property
Tfus	642.98	K	Joback Calculated Property
Vc	1.534	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1341.07; 1410.27]	J/mol×K	[1073.40; 1318.13]
Cp,gas	1341.07	J/mol×K	1073.40	Joback Calculated Property
Cp,gas	1355.98	J/mol×K	1114.19	Joback Calculated Property
Cp,gas	1369.38	J/mol×K	1154.98	Joback Calculated Property
Cp,gas	1381.38	J/mol×K	1195.76	Joback Calculated Property
Cp,gas	1392.12	J/mol×K	1236.55	Joback Calculated Property
Cp,gas	1401.71	J/mol×K	1277.34	Joback Calculated Property
Cp,gas	1410.27	J/mol×K	1318.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, tridecyl 2-trifluoromethylbenzyl ester.

Sources

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

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