Chemical Properties of Phthalic acid, 3-iodobenzyl propyl ester

InChI

InChI=1S/C18H17IO4/c1-2-10-22-17(20)15-8-3-4-9-16(15)18(21)23-12-13-6-5-7-14(19)11-13/h3-9,11H,2,10,12H2,1H3

InChI Key

WMWIJCYNSFMNEJ-UHFFFAOYSA-N

Formula

C18H17IO4

SMILES

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

Molecular Weight¹

424.23

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[327.67; 730.22]	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			9.82300e+00
Coefficient B			1.36642e+00
Coefficient C			-7.75920e-04
Coefficient D			1.29900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	327.67	J/mol×K	273.00	Calculated Property
Cp,gas	401.87	J/mol×K	353.78	Calculated Property
Cp,gas	467.74	J/mol×K	434.56	Calculated Property
Cp,gas	525.70	J/mol×K	515.33	Calculated Property
Cp,gas	576.16	J/mol×K	596.11	Calculated Property
Cp,gas	619.51	J/mol×K	676.89	Calculated Property
Cp,gas	656.19	J/mol×K	757.67	Calculated Property
Cp,gas	686.59	J/mol×K	838.44	Calculated Property
Cp,gas	711.13	J/mol×K	919.22	Calculated Property
Cp,gas	730.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005300; 0.0000632]	Pa×s	[513.22; 791.36]	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			-1.35917e+01
Coefficient B			3.10450e+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.			513.22
Temperature range, max.			791.36
η	0.0005300	Pa×s	513.22	Calculated Property
η	0.0003759	Pa×s	544.12	Calculated Property
η	0.0002766	Pa×s	575.03	Calculated Property
η	0.0002100	Pa×s	605.93	Calculated Property
η	0.0001638	Pa×s	636.84	Calculated Property
η	0.0001307	Pa×s	667.74	Calculated Property
η	0.0001064	Pa×s	698.65	Calculated Property
η	0.0000882	Pa×s	729.55	Calculated Property
η	0.0000742	Pa×s	760.45	Calculated Property
η	0.0000632	Pa×s	791.36	Calculated Property

Similar Compounds

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

Sources

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

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