Chemical Properties of Phthalic acid, 3-iodobenzyl tridecyl ester

InChI

InChI=1S/C28H37IO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-32-27(30)25-18-12-13-19-26(25)28(31)33-22-23-16-15-17-24(29)21-23/h12-13,15-19,21H,2-11,14,20,22H2,1H3

InChI Key

QUMFNHMGDIUCPY-UHFFFAOYSA-N

Formula

C28H37IO4

SMILES

CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cccc(I)c1

Molecular Weight¹

564.50

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.81; 1246.13]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.33000e-01
Coefficient B			2.31642e+00
Coefficient C			-1.31992e-03
Coefficient D			2.48900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	539.81	J/mol×K	273.00	Calculated Property
Cp,gas	666.05	J/mol×K	353.78	Calculated Property
Cp,gas	778.52	J/mol×K	434.56	Calculated Property
Cp,gas	878.00	J/mol×K	515.33	Calculated Property
Cp,gas	965.27	J/mol×K	596.11	Calculated Property
Cp,gas	1041.13	J/mol×K	676.89	Calculated Property
Cp,gas	1106.35	J/mol×K	757.67	Calculated Property
Cp,gas	1161.74	J/mol×K	838.44	Calculated Property
Cp,gas	1208.07	J/mol×K	919.22	Calculated Property
Cp,gas	1246.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001460; 0.0000158]	Pa×s	[625.92; 953.97]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.52961e+01
Coefficient B			4.04610e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			625.92
Temperature range, max.			953.97
η	0.0001460	Pa×s	625.92	Calculated Property
η	0.0001023	Pa×s	662.37	Calculated Property
η	0.0000744	Pa×s	698.82	Calculated Property
η	0.0000558	Pa×s	735.27	Calculated Property
η	0.0000431	Pa×s	771.72	Calculated Property
η	0.0000340	Pa×s	808.17	Calculated Property
η	0.0000274	Pa×s	844.62	Calculated Property
η	0.0000225	Pa×s	881.07	Calculated Property
η	0.0000187	Pa×s	917.52	Calculated Property
η	0.0000158	Pa×s	953.97	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 3-iodobenzyl tridecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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