Chemical Properties of Glutaric acid, butyl 3-hexyl ester

InChI

InChI=1S/C15H28O4/c1-4-7-12-18-14(16)10-8-11-15(17)19-13(6-3)9-5-2/h13H,4-12H2,1-3H3

InChI Key

NPAUJEHOAAFFSC-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CCCCOC(=O)CCCC(=O)OC(CC)CCC

Molecular Weight¹

272.38

• 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).
• IE : Ionization energy (eV).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[356.05; 809.95]	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			3.83890e+01
Coefficient B			1.32516e+00
Coefficient C			-6.06200e-04
Coefficient D			5.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	356.05	J/mol×K	273.00	Calculated Property
Cp,gas	433.66	J/mol×K	353.78	Calculated Property
Cp,gas	504.09	J/mol×K	434.56	Calculated Property
Cp,gas	567.50	J/mol×K	515.33	Calculated Property
Cp,gas	624.06	J/mol×K	596.11	Calculated Property
Cp,gas	673.94	J/mol×K	676.89	Calculated Property
Cp,gas	717.30	J/mol×K	757.67	Calculated Property
Cp,gas	754.31	J/mol×K	838.44	Calculated Property
Cp,gas	785.14	J/mol×K	919.22	Calculated Property
Cp,gas	809.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038694; 0.0001330]	Pa×s	[328.47; 582.27]	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			-1.32878e+01
Coefficient B			2.54010e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			328.47
Temperature range, max.			582.27
η	0.0038694	Pa×s	328.47	Calculated Property
η	0.0020994	Pa×s	356.67	Calculated Property
η	0.0012459	Pa×s	384.87	Calculated Property
η	0.0007940	Pa×s	413.07	Calculated Property
η	0.0005360	Pa×s	441.27	Calculated Property
η	0.0003793	Pa×s	469.47	Calculated Property
η	0.0002791	Pa×s	497.67	Calculated Property
η	0.0002123	Pa×s	525.87	Calculated Property
η	0.0001660	Pa×s	554.07	Calculated Property
η	0.0001330	Pa×s	582.27	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 3-hexyl ester.

Sources

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

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