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

InChI

InChI=1S/C28H35F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-34-27(32)22-15-12-13-16-23(22)28(33)35-20-21-18-25(30)26(31)19-24(21)29/h12-13,15-16,18-19H,2-11,14,17,20H2,1H3

InChI Key

GMMQMBSUEYATKJ-UHFFFAOYSA-N

Formula

C28H35F3O4

SMILES

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

Molecular Weight¹

492.57

• 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°	-681.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1272.00	kJ/mol	Joback Calculated Property
ΔfusH°	69.62	kJ/mol	Joback Calculated Property
ΔvapH°	100.98	kJ/mol	Joback Calculated Property
log10WS	-10.08		Crippen Calculated Property
logPoct/wat	7.929		Crippen Calculated Property
McVol	378.050	ml/mol	McGowan Calculated Property
Pc	892.67	kPa	Joback Calculated Property
Inp	[3370.00; 3370.00]
Inp	3370.00		NIST
Inp	3370.00		NIST
Tboil	1063.71	K	Joback Calculated Property
Tc	1307.16	K	Joback Calculated Property
Tfus	654.33	K	Joback Calculated Property
Vc	1.490	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1276.68; 1335.08]	J/mol×K	[1063.71; 1307.16]
Cp,gas	1276.68	J/mol×K	1063.71	Joback Calculated Property
Cp,gas	1290.68	J/mol×K	1104.28	Joback Calculated Property
Cp,gas	1302.89	J/mol×K	1144.86	Joback Calculated Property
Cp,gas	1313.37	J/mol×K	1185.43	Joback Calculated Property
Cp,gas	1322.18	J/mol×K	1226.01	Joback Calculated Property
Cp,gas	1329.39	J/mol×K	1266.58	Joback Calculated Property
Cp,gas	1335.08	J/mol×K	1307.16	Joback Calculated Property

Similar Compounds

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

Sources

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

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