Chemical Properties of Phthalic acid, 3-ethylphenyl isohexyl ester

InChI

InChI=1S/C22H26O4/c1-4-17-10-7-11-18(15-17)26-22(24)20-13-6-5-12-19(20)21(23)25-14-8-9-16(2)3/h5-7,10-13,15-16H,4,8-9,14H2,1-3H3

InChI Key

AKVQNGODRHWOKS-UHFFFAOYSA-N

Formula

C22H26O4

SMILES

CCc1cccc(OC(=O)c2ccccc2C(=O)OCCCC(C)C)c1

Molecular Weight¹

354.44

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[395.13; 927.95]	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			-7.18600e+00
Coefficient B			1.71336e+00
Coefficient C			-9.15320e-04
Coefficient D			1.37100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	395.13	J/mol×K	273.00	Calculated Property
Cp,gas	490.47	J/mol×K	353.78	Calculated Property
Cp,gas	575.77	J/mol×K	434.56	Calculated Property
Cp,gas	651.45	J/mol×K	515.33	Calculated Property
Cp,gas	717.95	J/mol×K	596.11	Calculated Property
Cp,gas	775.71	J/mol×K	676.89	Calculated Property
Cp,gas	825.15	J/mol×K	757.67	Calculated Property
Cp,gas	866.72	J/mol×K	838.44	Calculated Property
Cp,gas	900.84	J/mol×K	919.22	Calculated Property
Cp,gas	927.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005654; 0.0000502]	Pa×s	[485.24; 771.89]	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			-1.39974e+01
Coefficient B			3.16354e+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.			485.24
Temperature range, max.			771.89
η	0.0005654	Pa×s	485.24	Calculated Property
η	0.0003784	Pa×s	517.09	Calculated Property
η	0.0002654	Pa×s	548.94	Calculated Property
η	0.0001935	Pa×s	580.79	Calculated Property
η	0.0001457	Pa×s	612.64	Calculated Property
η	0.0001129	Pa×s	644.49	Calculated Property
η	0.0000896	Pa×s	676.34	Calculated Property
η	0.0000726	Pa×s	708.19	Calculated Property
η	0.0000599	Pa×s	740.04	Calculated Property
η	0.0000502	Pa×s	771.89	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 3-ethylphenyl isohexyl ester.

Sources

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

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