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

InChI

InChI=1S/C17H32O4/c1-13(2)8-7-11-20-16(18)9-6-10-17(19)21-15(5)12-14(3)4/h13-15H,6-12H2,1-5H3

InChI Key

KTMLGZHPLAVXTA-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

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

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).
• 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	[397.85; 914.21]	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			3.32070e+01
Coefficient B			1.52700e+00
Coefficient C			-7.21400e-04
Coefficient D			7.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.85	J/mol×K	273.00	Calculated Property
Cp,gas	486.47	J/mol×K	353.78	Calculated Property
Cp,gas	566.73	J/mol×K	434.56	Calculated Property
Cp,gas	638.86	J/mol×K	515.33	Calculated Property
Cp,gas	703.09	J/mol×K	596.11	Calculated Property
Cp,gas	759.67	J/mol×K	676.89	Calculated Property
Cp,gas	808.83	J/mol×K	757.67	Calculated Property
Cp,gas	850.82	J/mol×K	838.44	Calculated Property
Cp,gas	885.86	J/mol×K	919.22	Calculated Property
Cp,gas	914.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059722; 0.0000906]	Pa×s	[321.01; 616.67]	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			-1.38558e+01
Coefficient B			2.80406e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			321.01
Temperature range, max.			616.67
η	0.0059722	Pa×s	321.01	Calculated Property
η	0.0026543	Pa×s	353.86	Calculated Property
η	0.0013540	Pa×s	386.71	Calculated Property
η	0.0007674	Pa×s	419.56	Calculated Property
η	0.0004724	Pa×s	452.41	Calculated Property
η	0.0003105	Pa×s	485.26	Calculated Property
η	0.0002152	Pa×s	518.12	Calculated Property
η	0.0001559	Pa×s	550.97	Calculated Property
η	0.0001171	Pa×s	583.82	Calculated Property
η	0.0000906	Pa×s	616.67	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric 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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