Chemical Properties of Adipic acid, hexyl 3-methylpentyl ester

InChI

InChI=1S/C18H34O4/c1-4-6-7-10-14-21-17(19)11-8-9-12-18(20)22-15-13-16(3)5-2/h16H,4-15H2,1-3H3

InChI Key

QMEBAAAVXAKOEJ-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

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

Molecular Weight¹

314.47

• 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	[419.69; 964.72]	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			3.56620e+01
Coefficient B			1.61016e+00
Coefficient C			-7.69400e-04
Coefficient D			8.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.69	J/mol×K	273.00	Calculated Property
Cp,gas	512.91	J/mol×K	353.78	Calculated Property
Cp,gas	597.32	J/mol×K	434.56	Calculated Property
Cp,gas	673.19	J/mol×K	515.33	Calculated Property
Cp,gas	740.80	J/mol×K	596.11	Calculated Property
Cp,gas	800.42	J/mol×K	676.89	Calculated Property
Cp,gas	852.35	J/mol×K	757.67	Calculated Property
Cp,gas	896.86	J/mol×K	838.44	Calculated Property
Cp,gas	934.22	J/mol×K	919.22	Calculated Property
Cp,gas	964.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026059; 0.0000942]	Pa×s	[362.28; 631.27]	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			-1.37411e+01
Coefficient B			2.82258e+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.			362.28
Temperature range, max.			631.27
η	0.0026059	Pa×s	362.28	Calculated Property
η	0.0014391	Pa×s	392.17	Calculated Property
η	0.0008645	Pa×s	422.05	Calculated Property
η	0.0005555	Pa×s	451.94	Calculated Property
η	0.0003771	Pa×s	481.83	Calculated Property
η	0.0002678	Pa×s	511.72	Calculated Property
η	0.0001975	Pa×s	541.60	Calculated Property
η	0.0001504	Pa×s	571.49	Calculated Property
η	0.0001177	Pa×s	601.38	Calculated Property
η	0.0000942	Pa×s	631.27	Calculated Property

Similar Compounds

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

Sources

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

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