Chemical Properties of Glutaric acid, hexyl 2-methylpentyl ester

InChI

InChI=1S/C17H32O4/c1-4-6-7-8-13-20-16(18)11-9-12-17(19)21-14-15(3)10-5-2/h15H,4-14H2,1-3H3

InChI Key

HDQKDMRQUUQOPU-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CCCCCCOC(=O)CCCC(=O)OCC(C)CCC

Molecular Weight¹

300.44

• 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	[398.48; 913.13]	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			3.65710e+01
Coefficient B			1.51516e+00
Coefficient C			-7.15000e-04
Coefficient D			7.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	398.48	J/mol×K	273.00	Calculated Property
Cp,gas	486.50	J/mol×K	353.78	Calculated Property
Cp,gas	566.24	J/mol×K	434.56	Calculated Property
Cp,gas	637.96	J/mol×K	515.33	Calculated Property
Cp,gas	701.88	J/mol×K	596.11	Calculated Property
Cp,gas	758.26	J/mol×K	676.89	Calculated Property
Cp,gas	807.34	J/mol×K	757.67	Calculated Property
Cp,gas	849.34	J/mol×K	838.44	Calculated Property
Cp,gas	884.53	J/mol×K	919.22	Calculated Property
Cp,gas	913.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029834; 0.0001064]	Pa×s	[351.01; 614.59]	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			-1.35878e+01
Coefficient B			2.72842e+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.			351.01
Temperature range, max.			614.59
η	0.0029834	Pa×s	351.01	Calculated Property
η	0.0016396	Pa×s	380.30	Calculated Property
η	0.0009816	Pa×s	409.58	Calculated Property
η	0.0006294	Pa×s	438.87	Calculated Property
η	0.0004266	Pa×s	468.15	Calculated Property
η	0.0003027	Pa×s	497.44	Calculated Property
η	0.0002231	Pa×s	526.73	Calculated Property
η	0.0001698	Pa×s	556.01	Calculated Property
η	0.0001329	Pa×s	585.30	Calculated Property
η	0.0001064	Pa×s	614.59	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexyl 2-methylpentyl ester.

Sources

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

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