Chemical Properties of Isophthalic acid, 2-ethylphenyl propyl ester

InChI

InChI=1S/C19H20O4/c1-3-12-22-18(20)15-9-7-10-16(13-15)19(21)23-17-11-6-5-8-14(17)4-2/h5-11,13H,3-4,12H2,1-2H3

InChI Key

ODNTYISRIPLQKG-UHFFFAOYSA-N

Formula

C19H20O4

SMILES

CCCOC(=O)c1cccc(C(=O)Oc2ccccc2CC)c1

Molecular Weight¹

312.36

• 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	[331.81; 772.64]	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			-2.77700e+00
Coefficient B			1.42244e+00
Coefficient C			-7.48920e-04
Coefficient D			1.01900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.81	J/mol×K	273.00	Calculated Property
Cp,gas	411.23	J/mol×K	353.78	Calculated Property
Cp,gas	482.29	J/mol×K	434.56	Calculated Property
Cp,gas	545.31	J/mol×K	515.33	Calculated Property
Cp,gas	600.61	J/mol×K	596.11	Calculated Property
Cp,gas	648.52	J/mol×K	676.89	Calculated Property
Cp,gas	689.36	J/mol×K	757.67	Calculated Property
Cp,gas	723.44	J/mol×K	838.44	Calculated Property
Cp,gas	751.09	J/mol×K	919.22	Calculated Property
Cp,gas	772.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006775; 0.0000766]	Pa×s	[466.43; 726.02]	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			-1.33928e+01
Coefficient B			2.84324e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			466.43
Temperature range, max.			726.02
η	0.0006775	Pa×s	466.43	Calculated Property
η	0.0004751	Pa×s	495.27	Calculated Property
η	0.0003464	Pa×s	524.12	Calculated Property
η	0.0002610	Pa×s	552.96	Calculated Property
η	0.0002023	Pa×s	581.80	Calculated Property
η	0.0001606	Pa×s	610.64	Calculated Property
η	0.0001302	Pa×s	639.49	Calculated Property
η	0.0001074	Pa×s	668.33	Calculated Property
η	0.0000901	Pa×s	697.17	Calculated Property
η	0.0000766	Pa×s	726.02	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2-ethylphenyl propyl ester.

Sources

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

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