Chemical Properties of Isophthalic acid, 4-methoxybenzyl propyl ester

InChI

InChI=1S/C19H20O5/c1-3-11-23-18(20)15-5-4-6-16(12-15)19(21)24-13-14-7-9-17(22-2)10-8-14/h4-10,12H,3,11,13H2,1-2H3

InChI Key

PRZDDXRMVIFYQB-UHFFFAOYSA-N

Formula

C19H20O5

SMILES

CCCOC(=O)c1cccc(C(=O)OCc2ccc(OC)cc2)c1

Molecular Weight¹

328.36

• 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).
• IE : Ionization energy (eV).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[347.21; 791.14]	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			2.27230e+01
Coefficient B			1.35924e+00
Coefficient C			-6.37920e-04
Coefficient D			4.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	347.21	J/mol×K	273.00	Calculated Property
Cp,gas	425.84	J/mol×K	353.78	Calculated Property
Cp,gas	496.79	J/mol×K	434.56	Calculated Property
Cp,gas	560.22	J/mol×K	515.33	Calculated Property
Cp,gas	616.27	J/mol×K	596.11	Calculated Property
Cp,gas	665.10	J/mol×K	676.89	Calculated Property
Cp,gas	706.86	J/mol×K	757.67	Calculated Property
Cp,gas	741.68	J/mol×K	838.44	Calculated Property
Cp,gas	769.73	J/mol×K	919.22	Calculated Property
Cp,gas	791.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004710; 0.0000598]	Pa×s	[488.66; 740.61]	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			-1.37289e+01
Coefficient B			2.96533e+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.			488.66
Temperature range, max.			740.61
η	0.0004710	Pa×s	488.66	Calculated Property
η	0.0003390	Pa×s	516.65	Calculated Property
η	0.0002524	Pa×s	544.65	Calculated Property
η	0.0001934	Pa×s	572.64	Calculated Property
η	0.0001520	Pa×s	600.64	Calculated Property
η	0.0001220	Pa×s	628.63	Calculated Property
η	0.0000997	Pa×s	656.63	Calculated Property
η	0.0000829	Pa×s	684.62	Calculated Property
η	0.0000700	Pa×s	712.62	Calculated Property
η	0.0000598	Pa×s	740.61	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 4-methoxybenzyl propyl ester.

Sources

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

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