Chemical Properties of Isophthalic acid, 2-ethylphenyl hexyl ester

InChI

InChI=1S/C22H26O4/c1-3-5-6-9-15-25-21(23)18-12-10-13-19(16-18)22(24)26-20-14-8-7-11-17(20)4-2/h7-8,10-14,16H,3-6,9,15H2,1-2H3

InChI Key

FDDWHVMXHUFZLQ-UHFFFAOYSA-N

Formula

C22H26O4

SMILES

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

Molecular Weight¹

354.44

• 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	[395.45; 927.42]	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			-5.50400e+00
Coefficient B			1.70744e+00
Coefficient C			-9.12120e-04
Coefficient D			1.37600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	395.45	J/mol×K	273.00	Calculated Property
Cp,gas	490.48	J/mol×K	353.78	Calculated Property
Cp,gas	575.52	J/mol×K	434.56	Calculated Property
Cp,gas	651.00	J/mol×K	515.33	Calculated Property
Cp,gas	717.35	J/mol×K	596.11	Calculated Property
Cp,gas	775.00	J/mol×K	676.89	Calculated Property
Cp,gas	824.40	J/mol×K	757.67	Calculated Property
Cp,gas	865.98	J/mol×K	838.44	Calculated Property
Cp,gas	900.18	J/mol×K	919.22	Calculated Property
Cp,gas	927.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004930; 0.0000551]	Pa×s	[500.24; 770.51]	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			-1.38634e+01
Coefficient B			3.12572e+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.			500.24
Temperature range, max.			770.51
η	0.0004930	Pa×s	500.24	Calculated Property
η	0.0003461	Pa×s	530.27	Calculated Property
η	0.0002523	Pa×s	560.30	Calculated Property
η	0.0001900	Pa×s	590.33	Calculated Property
η	0.0001470	Pa×s	620.36	Calculated Property
η	0.0001165	Pa×s	650.39	Calculated Property
η	0.0000942	Pa×s	680.42	Calculated Property
η	0.0000776	Pa×s	710.45	Calculated Property
η	0.0000649	Pa×s	740.48	Calculated Property
η	0.0000551	Pa×s	770.51	Calculated Property

Similar Compounds

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

Sources

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

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