Chemical Properties of Sebacic acid, di(4-isopropylphenyl) ester

InChI

InChI=1S/C28H38O4/c1-21(2)23-13-17-25(18-14-23)31-27(29)11-9-7-5-6-8-10-12-28(30)32-26-19-15-24(16-20-26)22(3)4/h13-22H,5-12H2,1-4H3

InChI Key

SASLXLYRMVYKII-UHFFFAOYSA-N

Formula

C28H38O4

SMILES

CC(C)c1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc(C(C)C)cc2)cc1

Molecular Weight¹

438.60

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[522.10; 1238.04]	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			-1.43220e+01
Coefficient B			2.28928e+00
Coefficient C			-1.24492e-03
Coefficient D			2.08000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	522.10	J/mol×K	273.00	Calculated Property
Cp,gas	648.97	J/mol×K	353.78	Calculated Property
Cp,gas	762.48	J/mol×K	434.56	Calculated Property
Cp,gas	863.27	J/mol×K	515.33	Calculated Property
Cp,gas	952.02	J/mol×K	596.11	Calculated Property
Cp,gas	1029.38	J/mol×K	676.89	Calculated Property
Cp,gas	1096.00	J/mol×K	757.67	Calculated Property
Cp,gas	1152.55	J/mol×K	838.44	Calculated Property
Cp,gas	1199.67	J/mol×K	919.22	Calculated Property
Cp,gas	1238.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003005; 0.0000203]	Pa×s	[537.86; 873.95]	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			-1.51124e+01
Coefficient B			3.76632e+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.			537.86
Temperature range, max.			873.95
η	0.0003005	Pa×s	537.86	Calculated Property
η	0.0001907	Pa×s	575.20	Calculated Property
η	0.0001280	Pa×s	612.55	Calculated Property
η	0.0000899	Pa×s	649.89	Calculated Property
η	0.0000656	Pa×s	687.23	Calculated Property
η	0.0000495	Pa×s	724.58	Calculated Property
η	0.0000383	Pa×s	761.92	Calculated Property
η	0.0000304	Pa×s	799.27	Calculated Property
η	0.0000247	Pa×s	836.61	Calculated Property
η	0.0000203	Pa×s	873.95	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(4-isopropylphenyl) ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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