Chemical Properties of Sebacic acid, isobutyl 4-isopropoxyphenyl ester

InChI

InChI=1S/C23H36O5/c1-18(2)17-26-22(24)11-9-7-5-6-8-10-12-23(25)28-21-15-13-20(14-16-21)27-19(3)4/h13-16,18-19H,5-12,17H2,1-4H3

InChI Key

WWZURHKTHGBGRQ-UHFFFAOYSA-N

Formula

C23H36O5

SMILES

CC(C)COC(=O)CCCCCCCCC(=O)Oc1ccc(OC(C)C)cc1

Molecular Weight¹

392.53

• 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).
• 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, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[486.14; 1120.15]	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			3.53290e+01
Coefficient B			1.88948e+00
Coefficient C			-8.97760e-04
Coefficient D			9.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	486.14	J/mol×K	273.00	Calculated Property
Cp,gas	595.54	J/mol×K	353.78	Calculated Property
Cp,gas	694.52	J/mol×K	434.56	Calculated Property
Cp,gas	783.37	J/mol×K	515.33	Calculated Property
Cp,gas	862.37	J/mol×K	596.11	Calculated Property
Cp,gas	931.84	J/mol×K	676.89	Calculated Property
Cp,gas	992.05	J/mol×K	757.67	Calculated Property
Cp,gas	1043.31	J/mol×K	838.44	Calculated Property
Cp,gas	1085.91	J/mol×K	919.22	Calculated Property
Cp,gas	1120.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005913; 0.0000316]	Pa×s	[464.80; 769.67]	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			-1.48244e+01
Coefficient B			3.43545e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			464.80
Temperature range, max.			769.67
η	0.0005913	Pa×s	464.80	Calculated Property
η	0.0003579	Pa×s	498.67	Calculated Property
η	0.0002309	Pa×s	532.55	Calculated Property
η	0.0001570	Pa×s	566.42	Calculated Property
η	0.0001115	Pa×s	600.30	Calculated Property
η	0.0000821	Pa×s	634.17	Calculated Property
η	0.0000624	Pa×s	668.04	Calculated Property
η	0.0000487	Pa×s	701.92	Calculated Property
η	0.0000389	Pa×s	735.79	Calculated Property
η	0.0000316	Pa×s	769.67	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isobutyl 4-isopropoxyphenyl ester.

Sources

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

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