Chemical Properties of Sebacic acid, 4-isopropoxyphenyl undecyl ester

InChI

InChI=1S/C30H50O5/c1-4-5-6-7-8-9-12-15-18-25-33-29(31)19-16-13-10-11-14-17-20-30(32)35-28-23-21-27(22-24-28)34-26(2)3/h21-24,26H,4-20,25H2,1-3H3

InChI Key

OPPXDBCPURKPGR-UHFFFAOYSA-N

Formula

C30H50O5

SMILES

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

Molecular Weight¹

490.71

• 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	[634.95; 1480.75]	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			3.06480e+01
Coefficient B			2.54856e+00
Coefficient C			-1.27536e-03
Coefficient D			1.76900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	634.95	J/mol×K	273.00	Calculated Property
Cp,gas	780.48	J/mol×K	353.78	Calculated Property
Cp,gas	911.82	J/mol×K	434.56	Calculated Property
Cp,gas	1029.52	J/mol×K	515.33	Calculated Property
Cp,gas	1134.15	J/mol×K	596.11	Calculated Property
Cp,gas	1226.26	J/mol×K	676.89	Calculated Property
Cp,gas	1306.42	J/mol×K	757.67	Calculated Property
Cp,gas	1375.18	J/mol×K	838.44	Calculated Property
Cp,gas	1433.10	J/mol×K	919.22	Calculated Property
Cp,gas	1480.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001843; 0.0000109]	Pa×s	[558.69; 914.29]	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			-1.58601e+01
Coefficient B			4.05675e+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.			558.69
Temperature range, max.			914.29
η	0.0001843	Pa×s	558.69	Calculated Property
η	0.0001141	Pa×s	598.20	Calculated Property
η	0.0000749	Pa×s	637.71	Calculated Property
η	0.0000517	Pa×s	677.22	Calculated Property
η	0.0000372	Pa×s	716.73	Calculated Property
η	0.0000277	Pa×s	756.24	Calculated Property
η	0.0000212	Pa×s	795.75	Calculated Property
η	0.0000166	Pa×s	835.26	Calculated Property
η	0.0000134	Pa×s	874.77	Calculated Property
η	0.0000109	Pa×s	914.29	Calculated Property

Similar Compounds

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

Sources

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

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