Chemical Properties of Adipic acid, hexadecyl 3-methylpentyl ester

InChI

InChI=1S/C28H54O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-24-31-27(29)21-18-19-22-28(30)32-25-23-26(3)5-2/h26H,4-25H2,1-3H3

InChI Key

ZNFPBWDDVQIWSK-UHFFFAOYSA-N

Formula

C28H54O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCC(C)CC

Molecular Weight¹

454.74

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[631.83; 1480.63]	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			2.65720e+01
Coefficient B			2.56016e+00
Coefficient C			-1.31340e-03
Coefficient D			2.07300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	631.83	J/mol×K	273.00	Calculated Property
Cp,gas	777.10	J/mol×K	353.78	Calculated Property
Cp,gas	908.09	J/mol×K	434.56	Calculated Property
Cp,gas	1025.48	J/mol×K	515.33	Calculated Property
Cp,gas	1129.91	J/mol×K	596.11	Calculated Property
Cp,gas	1222.04	J/mol×K	676.89	Calculated Property
Cp,gas	1302.52	J/mol×K	757.67	Calculated Property
Cp,gas	1372.00	J/mol×K	838.44	Calculated Property
Cp,gas	1431.16	J/mol×K	919.22	Calculated Property
Cp,gas	1480.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005888; 0.0000201]	Pa×s	[474.98; 827.37]	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			-1.53623e+01
Coefficient B			3.76418e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			474.98
Temperature range, max.			827.37
η	0.0005888	Pa×s	474.98	Calculated Property
η	0.0003220	Pa×s	514.13	Calculated Property
η	0.0001918	Pa×s	553.29	Calculated Property
η	0.0001223	Pa×s	592.44	Calculated Property
η	0.0000825	Pa×s	631.60	Calculated Property
η	0.0000583	Pa×s	670.75	Calculated Property
η	0.0000428	Pa×s	709.91	Calculated Property
η	0.0000324	Pa×s	749.06	Calculated Property
η	0.0000252	Pa×s	788.22	Calculated Property
η	0.0000201	Pa×s	827.37	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, hexadecyl 3-methylpentyl ester.

Sources

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

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