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

InChI

InChI=1S/C29H56O5/c1-4-5-6-7-8-9-10-13-16-19-24-33-28(30)20-17-14-11-12-15-18-21-29(31)34-26-23-27(2)22-25-32-3/h27H,4-26H2,1-3H3

InChI Key

JXCFIDBWFVOZOD-UHFFFAOYSA-N

Formula

C29H56O5

SMILES

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

Molecular Weight¹

484.76

• 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	[668.44; 1550.72]	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			5.11630e+01
Coefficient B			2.59196e+00
Coefficient C			-1.25680e-03
Coefficient D			1.64400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	668.44	J/mol×K	273.00	Calculated Property
Cp,gas	818.12	J/mol×K	353.78	Calculated Property
Cp,gas	953.67	J/mol×K	434.56	Calculated Property
Cp,gas	1075.62	J/mol×K	515.33	Calculated Property
Cp,gas	1184.48	J/mol×K	596.11	Calculated Property
Cp,gas	1280.78	J/mol×K	676.89	Calculated Property
Cp,gas	1365.03	J/mol×K	757.67	Calculated Property
Cp,gas	1437.76	J/mol×K	838.44	Calculated Property
Cp,gas	1499.48	J/mol×K	919.22	Calculated Property
Cp,gas	1550.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003174; 0.0000120]	Pa×s	[508.48; 874.76]	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			-1.58833e+01
Coefficient B			3.98043e+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.			508.48
Temperature range, max.			874.76
η	0.0003174	Pa×s	508.48	Calculated Property
η	0.0001777	Pa×s	549.18	Calculated Property
η	0.0001078	Pa×s	589.87	Calculated Property
η	0.0000697	Pa×s	630.57	Calculated Property
η	0.0000476	Pa×s	671.27	Calculated Property
η	0.0000339	Pa×s	711.97	Calculated Property
η	0.0000250	Pa×s	752.66	Calculated Property
η	0.0000191	Pa×s	793.36	Calculated Property
η	0.0000149	Pa×s	834.06	Calculated Property
η	0.0000120	Pa×s	874.76	Calculated Property

Similar Compounds

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

Sources

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

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