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

InChI

InChI=1S/C18H34O4/c1-14(2)9-8-12-21-17(19)10-6-7-11-18(20)22-16(5)13-15(3)4/h14-16H,6-13H2,1-5H3

InChI Key

JOAOJJJTRPWSEV-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CC(C)CCCOC(=O)CCCCC(=O)OC(C)CC(C)C

Molecular Weight¹

314.46

• 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	[419.06; 965.80]	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			3.22980e+01
Coefficient B			1.62200e+00
Coefficient C			-7.75800e-04
Coefficient D			8.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.06	J/mol×K	273.00	Calculated Property
Cp,gas	512.89	J/mol×K	353.78	Calculated Property
Cp,gas	597.81	J/mol×K	434.56	Calculated Property
Cp,gas	674.09	J/mol×K	515.33	Calculated Property
Cp,gas	742.00	J/mol×K	596.11	Calculated Property
Cp,gas	801.83	J/mol×K	676.89	Calculated Property
Cp,gas	853.85	J/mol×K	757.67	Calculated Property
Cp,gas	898.33	J/mol×K	838.44	Calculated Property
Cp,gas	935.56	J/mol×K	919.22	Calculated Property
Cp,gas	965.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050574; 0.0000802]	Pa×s	[332.28; 632.98]	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			-1.40091e+01
Coefficient B			2.89822e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			332.28
Temperature range, max.			632.98
η	0.0050574	Pa×s	332.28	Calculated Property
η	0.0022795	Pa×s	365.69	Calculated Property
η	0.0011741	Pa×s	399.10	Calculated Property
η	0.0006700	Pa×s	432.51	Calculated Property
η	0.0004144	Pa×s	465.92	Calculated Property
η	0.0002733	Pa×s	499.34	Calculated Property
η	0.0001899	Pa×s	532.75	Calculated Property
η	0.0001378	Pa×s	566.16	Calculated Property
η	0.0001036	Pa×s	599.57	Calculated Property
η	0.0000802	Pa×s	632.98	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, isohexyl 4-methylpent-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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