Chemical Properties of Phthalic acid, isobutyl 2-tert-butyl-6-methylphenyl ester

InChI

InChI=1S/C23H28O4/c1-15(2)14-26-21(24)17-11-7-8-12-18(17)22(25)27-20-16(3)10-9-13-19(20)23(4,5)6/h7-13,15H,14H2,1-6H3

InChI Key

YCUVYUWMLDGLRM-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

Cc1cccc(C(C)(C)C)c1OC(=O)c1ccccc1C(=O)OCC(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	[417.44; 977.97]	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			-1.82690e+01
Coefficient B			1.87472e+00
Coefficient C			-1.07448e-03
Coefficient D			1.96000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	417.44	J/mol×K	273.00	Calculated Property
Cp,gas	519.16	J/mol×K	353.78	Calculated Property
Cp,gas	609.58	J/mol×K	434.56	Calculated Property
Cp,gas	689.31	J/mol×K	515.33	Calculated Property
Cp,gas	758.98	J/mol×K	596.11	Calculated Property
Cp,gas	819.19	J/mol×K	676.89	Calculated Property
Cp,gas	870.58	J/mol×K	757.67	Calculated Property
Cp,gas	913.76	J/mol×K	838.44	Calculated Property
Cp,gas	949.35	J/mol×K	919.22	Calculated Property
Cp,gas	977.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003866; 0.0000352]	Pa×s	[511.45; 793.85]	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			-1.45976e+01
Coefficient B			3.44698e+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.			511.45
Temperature range, max.			793.85
η	0.0003866	Pa×s	511.45	Calculated Property
η	0.0002619	Pa×s	542.83	Calculated Property
η	0.0001851	Pa×s	574.20	Calculated Property
η	0.0001356	Pa×s	605.58	Calculated Property
η	0.0001025	Pa×s	636.96	Calculated Property
η	0.0000795	Pa×s	668.34	Calculated Property
η	0.0000631	Pa×s	699.71	Calculated Property
η	0.0000510	Pa×s	731.09	Calculated Property
η	0.0000420	Pa×s	762.47	Calculated Property
η	0.0000352	Pa×s	793.85	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, isobutyl 2-tert-butyl-6-methylphenyl ester.

Sources

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

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