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

InChI

InChI=1S/C21H38O4/c1-4-6-7-8-9-10-11-14-18-24-20(22)16-12-13-17-21(23)25-19(3)15-5-2/h5,19H,2,4,6-18H2,1,3H3

InChI Key

JNVLXQNWBRNWDJ-UHFFFAOYSA-N

Formula

C21H38O4

SMILES

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

Molecular Weight¹

354.52

• 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	[473.52; 1090.98]	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			2.99440e+01
Coefficient B			1.87514e+00
Coefficient C			-9.55500e-04
Coefficient D			1.41400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	473.52	J/mol×K	273.00	Calculated Property
Cp,gas	580.00	J/mol×K	353.78	Calculated Property
Cp,gas	675.96	J/mol×K	434.56	Calculated Property
Cp,gas	761.87	J/mol×K	515.33	Calculated Property
Cp,gas	838.15	J/mol×K	596.11	Calculated Property
Cp,gas	905.27	J/mol×K	676.89	Calculated Property
Cp,gas	963.66	J/mol×K	757.67	Calculated Property
Cp,gas	1013.78	J/mol×K	838.44	Calculated Property
Cp,gas	1056.07	J/mol×K	919.22	Calculated Property
Cp,gas	1090.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017084; 0.0000662]	Pa×s	[394.33; 681.73]	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			-1.40812e+01
Coefficient B			3.03990e+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.			394.33
Temperature range, max.			681.73
η	0.0017084	Pa×s	394.33	Calculated Property
η	0.0009589	Pa×s	426.26	Calculated Property
η	0.0005834	Pa×s	458.20	Calculated Property
η	0.0003786	Pa×s	490.13	Calculated Property
η	0.0002591	Pa×s	522.06	Calculated Property
η	0.0001852	Pa×s	554.00	Calculated Property
η	0.0001373	Pa×s	585.93	Calculated Property
η	0.0001050	Pa×s	617.86	Calculated Property
η	0.0000825	Pa×s	649.79	Calculated Property
η	0.0000662	Pa×s	681.73	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, decyl 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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