Chemical Properties of Isophthalic acid, 2-ethylphenyl ethyl ester

InChI

InChI=1S/C18H18O4/c1-3-13-8-5-6-11-16(13)22-18(20)15-10-7-9-14(12-15)17(19)21-4-2/h5-12H,3-4H2,1-2H3

InChI Key

JMQOGBOYHNSNQP-UHFFFAOYSA-N

Formula

C18H18O4

SMILES

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

Molecular Weight¹

298.33

• 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	[310.59; 721.05]	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			-1.86800e+00
Coefficient B			1.32744e+00
Coefficient C			-6.94520e-04
Coefficient D			9.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.59	J/mol×K	273.00	Calculated Property
Cp,gas	384.81	J/mol×K	353.78	Calculated Property
Cp,gas	451.21	J/mol×K	434.56	Calculated Property
Cp,gas	510.08	J/mol×K	515.33	Calculated Property
Cp,gas	561.70	J/mol×K	596.11	Calculated Property
Cp,gas	606.36	J/mol×K	676.89	Calculated Property
Cp,gas	644.34	J/mol×K	757.67	Calculated Property
Cp,gas	675.92	J/mol×K	838.44	Calculated Property
Cp,gas	701.40	J/mol×K	919.22	Calculated Property
Cp,gas	721.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007466; 0.0000845]	Pa×s	[455.16; 712.06]	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			-1.32398e+01
Coefficient B			2.74908e+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.			455.16
Temperature range, max.			712.06
η	0.0007466	Pa×s	455.16	Calculated Property
η	0.0005228	Pa×s	483.70	Calculated Property
η	0.0003809	Pa×s	512.25	Calculated Property
η	0.0002869	Pa×s	540.79	Calculated Property
η	0.0002224	Pa×s	569.34	Calculated Property
η	0.0001766	Pa×s	597.88	Calculated Property
η	0.0001432	Pa×s	626.43	Calculated Property
η	0.0001183	Pa×s	654.97	Calculated Property
η	0.0000993	Pa×s	683.52	Calculated Property
η	0.0000845	Pa×s	712.06	Calculated Property

Similar Compounds

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

Sources

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

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