Chemical Properties of Glutaric acid, hexyl 5-methylhex-2-yl ester

InChI

InChI=1S/C18H34O4/c1-5-6-7-8-14-21-17(19)10-9-11-18(20)22-16(4)13-12-15(2)3/h15-16H,5-14H2,1-4H3

InChI Key

YUDAYJHVESRTAB-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

CCCCCCOC(=O)CCCC(=O)OC(C)CCC(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).
• 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	[419.38; 965.26]	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			3.39800e+01
Coefficient B			1.61608e+00
Coefficient C			-7.72600e-04
Coefficient D			8.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	419.38	J/mol×K	273.00	Calculated Property
Cp,gas	512.90	J/mol×K	353.78	Calculated Property
Cp,gas	597.56	J/mol×K	434.56	Calculated Property
Cp,gas	673.64	J/mol×K	515.33	Calculated Property
Cp,gas	741.40	J/mol×K	596.11	Calculated Property
Cp,gas	801.13	J/mol×K	676.89	Calculated Property
Cp,gas	853.10	J/mol×K	757.67	Calculated Property
Cp,gas	897.59	J/mol×K	838.44	Calculated Property
Cp,gas	934.89	J/mol×K	919.22	Calculated Property
Cp,gas	965.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035581; 0.0000870]	Pa×s	[347.28; 632.08]	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			-1.38751e+01
Coefficient B			2.86040e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			347.28
Temperature range, max.			632.08
η	0.0035581	Pa×s	347.28	Calculated Property
η	0.0017885	Pa×s	378.92	Calculated Property
η	0.0009996	Pa×s	410.57	Calculated Property
η	0.0006071	Pa×s	442.21	Calculated Property
η	0.0003942	Pa×s	473.86	Calculated Property
η	0.0002701	Pa×s	505.50	Calculated Property
η	0.0001936	Pa×s	537.15	Calculated Property
η	0.0001439	Pa×s	568.79	Calculated Property
η	0.0001104	Pa×s	600.43	Calculated Property
η	0.0000870	Pa×s	632.08	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexyl 5-methylhex-2-yl ester.

Sources

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

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