Chemical Properties of Phthalic acid, isohexyl 2-propylphenyl ester

InChI

InChI=1S/C23H28O4/c1-4-10-18-12-5-8-15-21(18)27-23(25)20-14-7-6-13-19(20)22(24)26-16-9-11-17(2)3/h5-8,12-15,17H,4,9-11,16H2,1-3H3

InChI Key

HOKJUPZVPUZDAL-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

CCCc1ccccc1OC(=O)c1ccccc1C(=O)OCCCC(C)C

Molecular Weight¹

368.47

• 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	[416.35; 979.54]	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			-8.09500e+00
Coefficient B			1.80836e+00
Coefficient C			-9.69720e-04
Coefficient D			1.49000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	416.35	J/mol×K	273.00	Calculated Property
Cp,gas	516.89	J/mol×K	353.78	Calculated Property
Cp,gas	606.84	J/mol×K	434.56	Calculated Property
Cp,gas	686.68	J/mol×K	515.33	Calculated Property
Cp,gas	756.86	J/mol×K	596.11	Calculated Property
Cp,gas	817.87	J/mol×K	676.89	Calculated Property
Cp,gas	870.17	J/mol×K	757.67	Calculated Property
Cp,gas	914.23	J/mol×K	838.44	Calculated Property
Cp,gas	950.54	J/mol×K	919.22	Calculated Property
Cp,gas	979.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005022; 0.0000445]	Pa×s	[496.51; 787.45]	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			-1.41576e+01
Coefficient B			3.25770e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			496.51
Temperature range, max.			787.45
η	0.0005022	Pa×s	496.51	Calculated Property
η	0.0003363	Pa×s	528.84	Calculated Property
η	0.0002358	Pa×s	561.16	Calculated Property
η	0.0001719	Pa×s	593.49	Calculated Property
η	0.0001295	Pa×s	625.82	Calculated Property
η	0.0001003	Pa×s	658.14	Calculated Property
η	0.0000795	Pa×s	690.47	Calculated Property
η	0.0000644	Pa×s	722.79	Calculated Property
η	0.0000531	Pa×s	755.12	Calculated Property
η	0.0000445	Pa×s	787.45	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, isohexyl 2-propylphenyl ester.

Sources

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

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