Chemical Properties of Sebacic acid, dodecyl 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C28H54O5/c1-4-5-6-7-8-9-10-13-16-19-23-32-27(29)20-17-14-11-12-15-18-21-28(30)33-25-26(2)22-24-31-3/h26H,4-25H2,1-3H3

InChI Key

NPRXFTVHKWSDGK-UHFFFAOYSA-N

Formula

C28H54O5

SMILES

CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(C)CCOC

Molecular Weight¹

470.73

Other Names

• Sebacic acid, dodecyl 4-methoxy-2-methylphenyl ester

• 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	[647.23; 1499.13]	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			5.20720e+01
Coefficient B			2.49696e+00
Coefficient C			-1.20240e-03
Coefficient D			1.52500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	647.23	J/mol×K	273.00	Calculated Property
Cp,gas	791.70	J/mol×K	353.78	Calculated Property
Cp,gas	922.59	J/mol×K	434.56	Calculated Property
Cp,gas	1040.39	J/mol×K	515.33	Calculated Property
Cp,gas	1145.57	J/mol×K	596.11	Calculated Property
Cp,gas	1238.62	J/mol×K	676.89	Calculated Property
Cp,gas	1320.02	J/mol×K	757.67	Calculated Property
Cp,gas	1390.25	J/mol×K	838.44	Calculated Property
Cp,gas	1449.79	J/mol×K	919.22	Calculated Property
Cp,gas	1499.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003717; 0.0000145]	Pa×s	[497.21; 850.18]	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			-1.57137e+01
Coefficient B			3.88627e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			497.21
Temperature range, max.			850.18
η	0.0003717	Pa×s	497.21	Calculated Property
η	0.0002099	Pa×s	536.43	Calculated Property
η	0.0001281	Pa×s	575.65	Calculated Property
η	0.0000833	Pa×s	614.87	Calculated Property
η	0.0000570	Pa×s	654.09	Calculated Property
η	0.0000407	Pa×s	693.31	Calculated Property
η	0.0000302	Pa×s	732.53	Calculated Property
η	0.0000230	Pa×s	771.75	Calculated Property
η	0.0000181	Pa×s	810.96	Calculated Property
η	0.0000145	Pa×s	850.18	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, dodecyl 4-methoxy-2-methylbutyl ester.

Sources

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

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