Chemical Properties of Phthalic acid, 3-iodobenzyl pentyl ester

InChI

InChI=1S/C20H21IO4/c1-2-3-6-12-24-19(22)17-10-4-5-11-18(17)20(23)25-14-15-8-7-9-16(21)13-15/h4-5,7-11,13H,2-3,6,12,14H2,1H3

InChI Key

HXXSOVQWWFYROI-UHFFFAOYSA-N

Formula

C20H21IO4

SMILES

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

Molecular Weight¹

452.28

• 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	[370.10; 833.40]	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			8.00500e+00
Coefficient B			1.55642e+00
Coefficient C			-8.84720e-04
Coefficient D			1.53700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	370.10	J/mol×K	273.00	Calculated Property
Cp,gas	454.71	J/mol×K	353.78	Calculated Property
Cp,gas	529.90	J/mol×K	434.56	Calculated Property
Cp,gas	596.16	J/mol×K	515.33	Calculated Property
Cp,gas	653.98	J/mol×K	596.11	Calculated Property
Cp,gas	703.84	J/mol×K	676.89	Calculated Property
Cp,gas	746.22	J/mol×K	757.67	Calculated Property
Cp,gas	781.62	J/mol×K	838.44	Calculated Property
Cp,gas	810.52	J/mol×K	919.22	Calculated Property
Cp,gas	833.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004182; 0.0000499]	Pa×s	[535.76; 819.09]	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			-1.39257e+01
Coefficient B			3.29282e+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.			535.76
Temperature range, max.			819.09
η	0.0004182	Pa×s	535.76	Calculated Property
η	0.0002973	Pa×s	567.24	Calculated Property
η	0.0002191	Pa×s	598.72	Calculated Property
η	0.0001665	Pa×s	630.20	Calculated Property
η	0.0001298	Pa×s	661.68	Calculated Property
η	0.0001036	Pa×s	693.16	Calculated Property
η	0.0000843	Pa×s	724.64	Calculated Property
η	0.0000697	Pa×s	756.13	Calculated Property
η	0.0000586	Pa×s	787.61	Calculated Property
η	0.0000499	Pa×s	819.09	Calculated Property

Similar Compounds

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

Sources

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

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