Chemical Properties of Glutaric acid, hexyl 2-methylbutyl ester

InChI

InChI=1S/C16H30O4/c1-4-6-7-8-12-19-15(17)10-9-11-16(18)20-13-14(3)5-2/h14H,4-13H2,1-3H3

InChI Key

WNXNSXCKHIWFAY-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

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

Molecular Weight¹

286.41

• 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	[377.26; 861.54]	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			3.74800e+01
Coefficient B			1.42016e+00
Coefficient C			-6.60600e-04
Coefficient D			6.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	377.26	J/mol×K	273.00	Calculated Property
Cp,gas	460.08	J/mol×K	353.78	Calculated Property
Cp,gas	535.16	J/mol×K	434.56	Calculated Property
Cp,gas	602.73	J/mol×K	515.33	Calculated Property
Cp,gas	662.97	J/mol×K	596.11	Calculated Property
Cp,gas	716.10	J/mol×K	676.89	Calculated Property
Cp,gas	762.32	J/mol×K	757.67	Calculated Property
Cp,gas	801.83	J/mol×K	838.44	Calculated Property
Cp,gas	834.83	J/mol×K	919.22	Calculated Property
Cp,gas	861.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034040; 0.0001194]	Pa×s	[339.74; 598.27]	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			-1.34366e+01
Coefficient B			2.63426e+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.			339.74
Temperature range, max.			598.27
η	0.0034040	Pa×s	339.74	Calculated Property
η	0.0018598	Pa×s	368.47	Calculated Property
η	0.0011090	Pa×s	397.19	Calculated Property
η	0.0007090	Pa×s	425.92	Calculated Property
η	0.0004797	Pa×s	454.64	Calculated Property
η	0.0003399	Pa×s	483.37	Calculated Property
η	0.0002504	Pa×s	512.09	Calculated Property
η	0.0001905	Pa×s	540.82	Calculated Property
η	0.0001490	Pa×s	569.54	Calculated Property
η	0.0001194	Pa×s	598.27	Calculated Property

Similar Compounds

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

Sources

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

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