Chemical Properties of Glutaric acid, butyl 3,3-dimethylbut-2-yl ester

InChI

InChI=1S/C15H28O4/c1-6-7-11-18-13(16)9-8-10-14(17)19-12(2)15(3,4)5/h12H,6-11H2,1-5H3

InChI Key

LGLISLKKHZBDNP-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CCCCOC(=O)CCCC(=O)OC(C)C(C)(C)C

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	[354.59; 811.42]	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			1.39160e+01
Coefficient B			1.45100e+00
Coefficient C			-7.78000e-04
Coefficient D			1.24500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.59	J/mol×K	273.00	Calculated Property
Cp,gas	435.39	J/mol×K	353.78	Calculated Property
Cp,gas	507.76	J/mol×K	434.56	Calculated Property
Cp,gas	572.09	J/mol×K	515.33	Calculated Property
Cp,gas	628.78	J/mol×K	596.11	Calculated Property
Cp,gas	678.23	J/mol×K	676.89	Calculated Property
Cp,gas	720.82	J/mol×K	757.67	Calculated Property
Cp,gas	756.96	J/mol×K	838.44	Calculated Property
Cp,gas	787.02	J/mol×K	919.22	Calculated Property
Cp,gas	811.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044348; 0.0001154]	Pa×s	[330.89; 584.84]	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			-1.38218e+01
Coefficient B			2.78064e+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.			330.89
Temperature range, max.			584.84
η	0.0044348	Pa×s	330.89	Calculated Property
η	0.0022915	Pa×s	359.11	Calculated Property
η	0.0013035	Pa×s	387.32	Calculated Property
η	0.0008006	Pa×s	415.54	Calculated Property
η	0.0005231	Pa×s	443.76	Calculated Property
η	0.0003597	Pa×s	471.97	Calculated Property
η	0.0002580	Pa×s	500.19	Calculated Property
η	0.0001917	Pa×s	528.41	Calculated Property
η	0.0001468	Pa×s	556.62	Calculated Property
η	0.0001154	Pa×s	584.84	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, butyl 3,3-dimethylbut-2-yl ester.

Sources

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

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