Chemical Properties of Sebacic acid, decyl 5-methoxy-3-methylpentyl ester

InChI

InChI=1S/C27H52O5/c1-4-5-6-7-8-11-14-17-22-31-26(28)18-15-12-9-10-13-16-19-27(29)32-24-21-25(2)20-23-30-3/h25H,4-24H2,1-3H3

InChI Key

JCYZXLOTCPZWHJ-UHFFFAOYSA-N

Formula

C27H52O5

SMILES

CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCC(C)CCOC

Molecular Weight¹

456.71

• 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).
• IE : Ionization energy (eV).
• 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 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	[626.02; 1447.54]	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			5.29810e+01
Coefficient B			2.40196e+00
Coefficient C			-1.14800e-03
Coefficient D			1.40600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	626.02	J/mol×K	273.00	Calculated Property
Cp,gas	765.28	J/mol×K	353.78	Calculated Property
Cp,gas	891.52	J/mol×K	434.56	Calculated Property
Cp,gas	1005.16	J/mol×K	515.33	Calculated Property
Cp,gas	1106.66	J/mol×K	596.11	Calculated Property
Cp,gas	1196.46	J/mol×K	676.89	Calculated Property
Cp,gas	1275.00	J/mol×K	757.67	Calculated Property
Cp,gas	1342.73	J/mol×K	838.44	Calculated Property
Cp,gas	1400.10	J/mol×K	919.22	Calculated Property
Cp,gas	1447.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004345; 0.0000174]	Pa×s	[485.94; 826.60]	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			-1.55450e+01
Coefficient B			3.79211e+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.			485.94
Temperature range, max.			826.60
η	0.0004345	Pa×s	485.94	Calculated Property
η	0.0002472	Pa×s	523.79	Calculated Property
η	0.0001518	Pa×s	561.64	Calculated Property
η	0.0000991	Pa×s	599.49	Calculated Property
η	0.0000681	Pa×s	637.35	Calculated Property
η	0.0000488	Pa×s	675.20	Calculated Property
η	0.0000362	Pa×s	713.05	Calculated Property
η	0.0000277	Pa×s	750.90	Calculated Property
η	0.0000217	Pa×s	788.75	Calculated Property
η	0.0000174	Pa×s	826.60	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, decyl 5-methoxy-3-methylpentyl ester.

Sources

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

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