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

InChI

InChI=1S/C17H30O4/c1-5-9-15(4)21-17(19)12-7-6-11-16(18)20-13-8-10-14(2)3/h5,14-15H,1,6-13H2,2-4H3

InChI Key

LUMKSNNCXNFFIL-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

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

Molecular Weight¹

298.42

• 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).
• 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 Pressure, 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	[388.35; 885.16]	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			3.18980e+01
Coefficient B			1.50106e+00
Coefficient C			-7.41100e-04
Coefficient D			9.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	388.35	J/mol×K	273.00	Calculated Property
Cp,gas	474.32	J/mol×K	353.78	Calculated Property
Cp,gas	551.90	J/mol×K	434.56	Calculated Property
Cp,gas	621.40	J/mol×K	515.33	Calculated Property
Cp,gas	683.11	J/mol×K	596.11	Calculated Property
Cp,gas	737.33	J/mol×K	676.89	Calculated Property
Cp,gas	784.35	J/mol×K	757.67	Calculated Property
Cp,gas	824.46	J/mol×K	838.44	Calculated Property
Cp,gas	857.97	J/mol×K	919.22	Calculated Property
Cp,gas	885.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040442; 0.0001015]	Pa×s	[334.25; 614.46]	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			-1.35915e+01
Coefficient B			2.70108e+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.			334.25
Temperature range, max.			614.46
η	0.0040442	Pa×s	334.25	Calculated Property
η	0.0020314	Pa×s	365.38	Calculated Property
η	0.0011369	Pa×s	396.52	Calculated Property
η	0.0006924	Pa×s	427.65	Calculated Property
η	0.0004510	Pa×s	458.79	Calculated Property
η	0.0003102	Pa×s	489.92	Calculated Property
η	0.0002232	Pa×s	521.05	Calculated Property
η	0.0001666	Pa×s	552.19	Calculated Property
η	0.0001283	Pa×s	583.32	Calculated Property
η	0.0001015	Pa×s	614.46	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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