Chemical Properties of Adipic acid, octadecyl 3-oxobut-2-yl ester

InChI

InChI=1S/C28H52O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-27(30)22-19-20-23-28(31)33-26(3)25(2)29/h26H,4-24H2,1-3H3

InChI Key

HJBJHVIWAVIHHY-UHFFFAOYSA-N

Formula

C28H52O5

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OC(C)C(C)=O

Molecular Weight¹

468.71

• 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	[632.75; 1469.65]	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			3.39310e+01
Coefficient B			2.53216e+00
Coefficient C			-1.29470e-03
Coefficient D			1.98260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	632.75	J/mol×K	273.00	Calculated Property
Cp,gas	776.49	J/mol×K	353.78	Calculated Property
Cp,gas	906.08	J/mol×K	434.56	Calculated Property
Cp,gas	1022.14	J/mol×K	515.33	Calculated Property
Cp,gas	1125.31	J/mol×K	596.11	Calculated Property
Cp,gas	1216.21	J/mol×K	676.89	Calculated Property
Cp,gas	1295.46	J/mol×K	757.67	Calculated Property
Cp,gas	1363.70	J/mol×K	838.44	Calculated Property
Cp,gas	1421.56	J/mol×K	919.22	Calculated Property
Cp,gas	1469.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003925; 0.0000182]	Pa×s	[524.91; 878.04]	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			-1.54830e+01
Coefficient B			4.01037e+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.			524.91
Temperature range, max.			878.04
η	0.0003925	Pa×s	524.91	Calculated Property
η	0.0002307	Pa×s	564.15	Calculated Property
η	0.0001453	Pa×s	603.38	Calculated Property
η	0.0000969	Pa×s	642.62	Calculated Property
η	0.0000676	Pa×s	681.86	Calculated Property
η	0.0000491	Pa×s	721.09	Calculated Property
η	0.0000369	Pa×s	760.33	Calculated Property
η	0.0000285	Pa×s	799.56	Calculated Property
η	0.0000225	Pa×s	838.80	Calculated Property
η	0.0000182	Pa×s	878.04	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, octadecyl 3-oxobut-2-yl ester.

Sources

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

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