Chemical Properties of Phthalic acid, dodecyl 3-iodobenzyl ester

InChI

InChI=1S/C27H35IO4/c1-2-3-4-5-6-7-8-9-10-13-19-31-26(29)24-17-11-12-18-25(24)27(30)32-21-22-15-14-16-23(28)20-22/h11-12,14-18,20H,2-10,13,19,21H2,1H3

InChI Key

MADRXMPVBYPPEK-UHFFFAOYSA-N

Formula

C27H35IO4

SMILES

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

Molecular Weight¹

550.47

• 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	[518.59; 1194.54]	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			1.64200e+00
Coefficient B			2.22142e+00
Coefficient C			-1.26552e-03
Coefficient D			2.37000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	518.59	J/mol×K	273.00	Calculated Property
Cp,gas	639.63	J/mol×K	353.78	Calculated Property
Cp,gas	747.44	J/mol×K	434.56	Calculated Property
Cp,gas	842.77	J/mol×K	515.33	Calculated Property
Cp,gas	926.36	J/mol×K	596.11	Calculated Property
Cp,gas	998.96	J/mol×K	676.89	Calculated Property
Cp,gas	1061.34	J/mol×K	757.67	Calculated Property
Cp,gas	1114.22	J/mol×K	838.44	Calculated Property
Cp,gas	1158.38	J/mol×K	919.22	Calculated Property
Cp,gas	1194.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001678; 0.0000186]	Pa×s	[614.65; 934.63]	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			-1.51222e+01
Coefficient B			3.95194e+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.			614.65
Temperature range, max.			934.63
η	0.0001678	Pa×s	614.65	Calculated Property
η	0.0001181	Pa×s	650.20	Calculated Property
η	0.0000862	Pa×s	685.76	Calculated Property
η	0.0000649	Pa×s	721.31	Calculated Property
η	0.0000501	Pa×s	756.87	Calculated Property
η	0.0000397	Pa×s	792.42	Calculated Property
η	0.0000320	Pa×s	827.97	Calculated Property
η	0.0000263	Pa×s	863.53	Calculated Property
η	0.0000220	Pa×s	899.08	Calculated Property
η	0.0000186	Pa×s	934.63	Calculated Property

Similar Compounds

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

Sources

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

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