Chemical Properties of Sebacic acid, dodecyl 2-octyl ester

InChI

InChI=1S/C30H58O4/c1-4-6-8-10-11-12-13-16-19-23-27-33-29(31)25-21-17-14-15-18-22-26-30(32)34-28(3)24-20-9-7-5-2/h28H,4-27H2,1-3H3

InChI Key

KRQMRKNKWVUUGU-UHFFFAOYSA-N

Formula

C30H58O4

SMILES

CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(C)CCCCCC

Molecular Weight¹

482.78

• 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	[674.25; 1583.81]	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			2.47540e+01
Coefficient B			2.75016e+00
Coefficient C			-1.42220e-03
Coefficient D			2.31100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	674.25	J/mol×K	273.00	Calculated Property
Cp,gas	829.93	J/mol×K	353.78	Calculated Property
Cp,gas	970.25	J/mol×K	434.56	Calculated Property
Cp,gas	1095.94	J/mol×K	515.33	Calculated Property
Cp,gas	1207.73	J/mol×K	596.11	Calculated Property
Cp,gas	1306.36	J/mol×K	676.89	Calculated Property
Cp,gas	1392.55	J/mol×K	757.67	Calculated Property
Cp,gas	1467.03	J/mol×K	838.44	Calculated Property
Cp,gas	1530.55	J/mol×K	919.22	Calculated Property
Cp,gas	1583.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004282; 0.0000139]	Pa×s	[497.52; 875.73]	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			-1.57004e+01
Coefficient B			3.95250e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			497.52
Temperature range, max.			875.73
η	0.0004282	Pa×s	497.52	Calculated Property
η	0.0002306	Pa×s	539.54	Calculated Property
η	0.0001358	Pa×s	581.57	Calculated Property
η	0.0000859	Pa×s	623.59	Calculated Property
η	0.0000576	Pa×s	665.61	Calculated Property
η	0.0000405	Pa×s	707.64	Calculated Property
η	0.0000296	Pa×s	749.66	Calculated Property
η	0.0000224	Pa×s	791.68	Calculated Property
η	0.0000174	Pa×s	833.71	Calculated Property
η	0.0000139	Pa×s	875.73	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, dodecyl 2-octyl ester.

Sources

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

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