Chemical Properties of Adipic acid, decyl 3-methylpentyl ester

InChI

InChI=1S/C22H42O4/c1-4-6-7-8-9-10-11-14-18-25-21(23)15-12-13-16-22(24)26-19-17-20(3)5-2/h20H,4-19H2,1-3H3

InChI Key

KJAJKILGFANHED-UHFFFAOYSA-N

Formula

C22H42O4

SMILES

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

Molecular Weight¹

370.57

• 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	[504.54; 1171.09]	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			3.20260e+01
Coefficient B			1.99016e+00
Coefficient C			-9.87000e-04
Coefficient D			1.35900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	504.54	J/mol×K	273.00	Calculated Property
Cp,gas	618.59	J/mol×K	353.78	Calculated Property
Cp,gas	721.63	J/mol×K	434.56	Calculated Property
Cp,gas	814.10	J/mol×K	515.33	Calculated Property
Cp,gas	896.44	J/mol×K	596.11	Calculated Property
Cp,gas	969.07	J/mol×K	676.89	Calculated Property
Cp,gas	1032.42	J/mol×K	757.67	Calculated Property
Cp,gas	1086.92	J/mol×K	838.44	Calculated Property
Cp,gas	1133.00	J/mol×K	919.22	Calculated Property
Cp,gas	1171.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014746; 0.0000545]	Pa×s	[407.36; 702.39]	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			-1.43729e+01
Coefficient B			3.19922e+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.			407.36
Temperature range, max.			702.39
η	0.0014746	Pa×s	407.36	Calculated Property
η	0.0008215	Pa×s	440.14	Calculated Property
η	0.0004964	Pa×s	472.92	Calculated Property
η	0.0003202	Pa×s	505.70	Calculated Property
η	0.0002178	Pa×s	538.49	Calculated Property
η	0.0001549	Pa×s	571.27	Calculated Property
η	0.0001143	Pa×s	604.05	Calculated Property
η	0.0000870	Pa×s	636.83	Calculated Property
η	0.0000681	Pa×s	669.61	Calculated Property
η	0.0000545	Pa×s	702.39	Calculated Property

Similar Compounds

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

Sources

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

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