Chemical Properties of Phthalic acid, 3-iodobenzyl octyl ester

InChI

InChI=1S/C23H27IO4/c1-2-3-4-5-6-9-15-27-22(25)20-13-7-8-14-21(20)23(26)28-17-18-11-10-12-19(24)16-18/h7-8,10-14,16H,2-6,9,15,17H2,1H3

InChI Key

YMGSHGRSWZRMSZ-UHFFFAOYSA-N

Formula

C23H27IO4

SMILES

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

Molecular Weight¹

494.36

• 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	[433.74; 988.18]	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			5.27800e+00
Coefficient B			1.84142e+00
Coefficient C			-1.04792e-03
Coefficient D			1.89400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	433.74	J/mol×K	273.00	Calculated Property
Cp,gas	533.96	J/mol×K	353.78	Calculated Property
Cp,gas	623.13	J/mol×K	434.56	Calculated Property
Cp,gas	701.85	J/mol×K	515.33	Calculated Property
Cp,gas	770.71	J/mol×K	596.11	Calculated Property
Cp,gas	830.32	J/mol×K	676.89	Calculated Property
Cp,gas	881.27	J/mol×K	757.67	Calculated Property
Cp,gas	924.17	J/mol×K	838.44	Calculated Property
Cp,gas	959.60	J/mol×K	919.22	Calculated Property
Cp,gas	988.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002869; 0.0000337]	Pa×s	[569.57; 864.76]	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			-1.44337e+01
Coefficient B			3.57530e+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.			569.57
Temperature range, max.			864.76
η	0.0002869	Pa×s	569.57	Calculated Property
η	0.0002038	Pa×s	602.37	Calculated Property
η	0.0001500	Pa×s	635.17	Calculated Property
η	0.0001138	Pa×s	667.97	Calculated Property
η	0.0000886	Pa×s	700.77	Calculated Property
η	0.0000705	Pa×s	733.56	Calculated Property
η	0.0000572	Pa×s	766.36	Calculated Property
η	0.0000473	Pa×s	799.16	Calculated Property
η	0.0000396	Pa×s	831.96	Calculated Property
η	0.0000337	Pa×s	864.76	Calculated Property

Similar Compounds

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

Sources

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

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