Chemical Properties of Adipic acid, nonyl pent-4-en-2-yl ester

InChI

InChI=1S/C20H36O4/c1-4-6-7-8-9-10-13-17-23-19(21)15-11-12-16-20(22)24-18(3)14-5-2/h5,18H,2,4,6-17H2,1,3H3

InChI Key

XMPZZUIJHYGPKU-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

C=CCC(C)OC(=O)CCCCC(=O)OCCCCCCCCC

Molecular Weight¹

340.50

• 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	[452.31; 1039.39]	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			3.08530e+01
Coefficient B			1.78014e+00
Coefficient C			-9.01100e-04
Coefficient D			1.29500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	452.31	J/mol×K	273.00	Calculated Property
Cp,gas	553.58	J/mol×K	353.78	Calculated Property
Cp,gas	644.89	J/mol×K	434.56	Calculated Property
Cp,gas	726.64	J/mol×K	515.33	Calculated Property
Cp,gas	799.24	J/mol×K	596.11	Calculated Property
Cp,gas	863.11	J/mol×K	676.89	Calculated Property
Cp,gas	918.65	J/mol×K	757.67	Calculated Property
Cp,gas	966.27	J/mol×K	838.44	Calculated Property
Cp,gas	1006.38	J/mol×K	919.22	Calculated Property
Cp,gas	1039.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019644; 0.0000759]	Pa×s	[383.06; 663.98]	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			-1.39226e+01
Coefficient B			2.94574e+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.			383.06
Temperature range, max.			663.98
η	0.0019644	Pa×s	383.06	Calculated Property
η	0.0011006	Pa×s	414.27	Calculated Property
η	0.0006687	Pa×s	445.49	Calculated Property
η	0.0004337	Pa×s	476.70	Calculated Property
η	0.0002967	Pa×s	507.91	Calculated Property
η	0.0002121	Pa×s	539.12	Calculated Property
η	0.0001573	Pa×s	570.34	Calculated Property
η	0.0001203	Pa×s	601.55	Calculated Property
η	0.0000945	Pa×s	632.76	Calculated Property
η	0.0000759	Pa×s	663.98	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, nonyl pent-4-en-2-yl ester.

Sources

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

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