Chemical Properties of Isophthalic acid, ethyl 1-isopropyl-2-methylpropyl ester

InChI

InChI=1S/C17H24O4/c1-6-20-16(18)13-8-7-9-14(10-13)17(19)21-15(11(2)3)12(4)5/h7-12,15H,6H2,1-5H3

InChI Key

MPJHXBDJBWTCBO-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

CCOC(=O)c1cccc(C(=O)OC(C(C)C)C(C)C)c1

Molecular Weight¹

292.37

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[343.14; 792.64]	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			1.36010e+01
Coefficient B			1.38860e+00
Coefficient C			-6.85560e-04
Coefficient D			7.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.14	J/mol×K	273.00	Calculated Property
Cp,gas	422.42	J/mol×K	353.78	Calculated Property
Cp,gas	493.80	J/mol×K	434.56	Calculated Property
Cp,gas	557.53	J/mol×K	515.33	Calculated Property
Cp,gas	613.85	J/mol×K	596.11	Calculated Property
Cp,gas	662.99	J/mol×K	676.89	Calculated Property
Cp,gas	705.20	J/mol×K	757.67	Calculated Property
Cp,gas	740.72	J/mol×K	838.44	Calculated Property
Cp,gas	769.79	J/mol×K	919.22	Calculated Property
Cp,gas	792.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026521; 0.0000795]	Pa×s	[359.95; 658.15]	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			-1.36730e+01
Coefficient B			2.78622e+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.			359.95
Temperature range, max.			658.15
η	0.0026521	Pa×s	359.95	Calculated Property
η	0.0013811	Pa×s	393.08	Calculated Property
η	0.0007960	Pa×s	426.22	Calculated Property
η	0.0004968	Pa×s	459.35	Calculated Property
η	0.0003303	Pa×s	492.48	Calculated Property
η	0.0002312	Pa×s	525.62	Calculated Property
η	0.0001689	Pa×s	558.75	Calculated Property
η	0.0001277	Pa×s	591.88	Calculated Property
η	0.0000995	Pa×s	625.02	Calculated Property
η	0.0000795	Pa×s	658.15	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, ethyl 1-isopropyl-2-methylpropyl ester.

Sources

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

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