Chemical Properties of Sebacic acid, 4-octyl pentadecyl ester

InChI

InChI=1S/C33H64O4/c1-4-7-9-10-11-12-13-14-15-16-19-22-25-30-36-32(34)28-23-20-17-18-21-24-29-33(35)37-31(26-6-3)27-8-5-2/h31H,4-30H2,1-3H3

InChI Key

AJTUDGXSFCOCBP-UHFFFAOYSA-N

Formula

C33H64O4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(CCC)CCCC

Molecular Weight¹

524.86

• 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	[737.90; 1738.59]	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			2.20270e+01
Coefficient B			3.03516e+00
Coefficient C			-1.58540e-03
Coefficient D			2.66800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	737.90	J/mol×K	273.00	Calculated Property
Cp,gas	909.19	J/mol×K	353.78	Calculated Property
Cp,gas	1063.48	J/mol×K	434.56	Calculated Property
Cp,gas	1201.63	J/mol×K	515.33	Calculated Property
Cp,gas	1324.47	J/mol×K	596.11	Calculated Property
Cp,gas	1432.84	J/mol×K	676.89	Calculated Property
Cp,gas	1527.60	J/mol×K	757.67	Calculated Property
Cp,gas	1609.58	J/mol×K	838.44	Calculated Property
Cp,gas	1679.63	J/mol×K	919.22	Calculated Property
Cp,gas	1738.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002630; 0.0000076]	Pa×s	[531.33; 956.63]	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			-1.62138e+01
Coefficient B			4.23498e+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.			531.33
Temperature range, max.			956.63
η	0.0002630	Pa×s	531.33	Calculated Property
η	0.0001372	Pa×s	578.59	Calculated Property
η	0.0000789	Pa×s	625.84	Calculated Property
η	0.0000491	Pa×s	673.10	Calculated Property
η	0.0000325	Pa×s	720.35	Calculated Property
η	0.0000226	Pa×s	767.61	Calculated Property
η	0.0000164	Pa×s	814.86	Calculated Property
η	0.0000124	Pa×s	862.12	Calculated Property
η	0.0000096	Pa×s	909.37	Calculated Property
η	0.0000076	Pa×s	956.63	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 4-octyl pentadecyl ester.

Sources

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

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