Chemical Properties of Sebacic acid, 4-isopropoxyphenyl octyl ester

InChI

InChI=1S/C27H44O5/c1-4-5-6-7-12-15-22-30-26(28)16-13-10-8-9-11-14-17-27(29)32-25-20-18-24(19-21-25)31-23(2)3/h18-21,23H,4-17,22H2,1-3H3

InChI Key

CLZGBVUUHDUPSZ-UHFFFAOYSA-N

Formula

C27H44O5

SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(OC(C)C)cc1

Molecular Weight¹

448.64

• 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_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 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	[571.31; 1325.97]	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			3.33750e+01
Coefficient B			2.26356e+00
Coefficient C			-1.11216e-03
Coefficient D			1.41200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	571.31	J/mol×K	273.00	Calculated Property
Cp,gas	701.23	J/mol×K	353.78	Calculated Property
Cp,gas	818.59	J/mol×K	434.56	Calculated Property
Cp,gas	923.83	J/mol×K	515.33	Calculated Property
Cp,gas	1017.41	J/mol×K	596.11	Calculated Property
Cp,gas	1099.78	J/mol×K	676.89	Calculated Property
Cp,gas	1171.37	J/mol×K	757.67	Calculated Property
Cp,gas	1232.63	J/mol×K	838.44	Calculated Property
Cp,gas	1284.02	J/mol×K	919.22	Calculated Property
Cp,gas	1325.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002853; 0.0000185]	Pa×s	[524.88; 847.44]	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			-1.53528e+01
Coefficient B			3.77427e+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.			524.88
Temperature range, max.			847.44
η	0.0002853	Pa×s	524.88	Calculated Property
η	0.0001802	Pa×s	560.72	Calculated Property
η	0.0001202	Pa×s	596.56	Calculated Property
η	0.0000840	Pa×s	632.40	Calculated Property
η	0.0000610	Pa×s	668.24	Calculated Property
η	0.0000458	Pa×s	704.08	Calculated Property
η	0.0000353	Pa×s	739.92	Calculated Property
η	0.0000279	Pa×s	775.76	Calculated Property
η	0.0000225	Pa×s	811.60	Calculated Property
η	0.0000185	Pa×s	847.44	Calculated Property

Similar Compounds

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

Sources

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

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