Chemical Properties of Sebacic acid, 2,4-dimethylpent-3-yl hexadecyl ester

InChI

InChI=1S/C33H64O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-36-31(34)26-23-20-17-18-21-24-27-32(35)37-33(29(2)3)30(4)5/h29-30,33H,6-28H2,1-5H3

InChI Key

QYJZTTFFEGTYDY-UHFFFAOYSA-N

Formula

C33H64O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

524.87

• 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	[737.27; 1739.66]	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			1.86630e+01
Coefficient B			3.04700e+00
Coefficient C			-1.59180e-03
Coefficient D			2.65800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	737.27	J/mol×K	273.00	Calculated Property
Cp,gas	909.17	J/mol×K	353.78	Calculated Property
Cp,gas	1063.97	J/mol×K	434.56	Calculated Property
Cp,gas	1202.53	J/mol×K	515.33	Calculated Property
Cp,gas	1325.67	J/mol×K	596.11	Calculated Property
Cp,gas	1434.25	J/mol×K	676.89	Calculated Property
Cp,gas	1529.10	J/mol×K	757.67	Calculated Property
Cp,gas	1611.05	J/mol×K	838.44	Calculated Property
Cp,gas	1680.96	J/mol×K	919.22	Calculated Property
Cp,gas	1739.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003769; 0.0000065]	Pa×s	[501.33; 949.63]	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			-1.64818e+01
Coefficient B			4.31062e+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.			501.33
Temperature range, max.			949.63
η	0.0003769	Pa×s	501.33	Calculated Property
η	0.0001733	Pa×s	551.14	Calculated Property
η	0.0000906	Pa×s	600.95	Calculated Property
η	0.0000523	Pa×s	650.76	Calculated Property
η	0.0000327	Pa×s	700.58	Calculated Property
η	0.0000217	Pa×s	750.39	Calculated Property
η	0.0000152	Pa×s	800.20	Calculated Property
η	0.0000111	Pa×s	850.01	Calculated Property
η	0.0000084	Pa×s	899.82	Calculated Property
η	0.0000065	Pa×s	949.63	Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,4-dimethylpent-3-yl hexadecyl ester.

Sources

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

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