Chemical Properties of Glutaric acid, but-3-en-2-yl 2-methylpent-3-yl ester

InChI

InChI=1S/C15H26O4/c1-6-12(5)18-14(16)9-8-10-15(17)19-13(7-2)11(3)4/h6,11-13H,1,7-10H2,2-5H3

InChI Key

UGAISORUMRFOBU-UHFFFAOYSA-N

Formula

C15H26O4

SMILES

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

Molecular Weight¹

270.36

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[345.61; 782.51]	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			3.20340e+01
Coefficient B			1.31698e+00
Coefficient C			-6.35500e-04
Coefficient D			6.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.61	J/mol×K	273.00	Calculated Property
Cp,gas	421.47	J/mol×K	353.78	Calculated Property
Cp,gas	489.99	J/mol×K	434.56	Calculated Property
Cp,gas	551.39	J/mol×K	515.33	Calculated Property
Cp,gas	605.89	J/mol×K	596.11	Calculated Property
Cp,gas	653.71	J/mol×K	676.89	Calculated Property
Cp,gas	695.06	J/mol×K	757.67	Calculated Property
Cp,gas	730.17	J/mol×K	838.44	Calculated Property
Cp,gas	759.25	J/mol×K	919.22	Calculated Property
Cp,gas	782.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0079865; 0.0001160]	Pa×s	[296.71; 584.40]	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			-1.34262e+01
Coefficient B			2.55058e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			296.71
Temperature range, max.			584.40
η	0.0079865	Pa×s	296.71	Calculated Property
η	0.0034615	Pa×s	328.68	Calculated Property
η	0.0017400	Pa×s	360.64	Calculated Property
η	0.0009783	Pa×s	392.61	Calculated Property
η	0.0005999	Pa×s	424.57	Calculated Property
η	0.0003939	Pa×s	456.54	Calculated Property
η	0.0002733	Pa×s	488.51	Calculated Property
η	0.0001983	Pa×s	520.47	Calculated Property
η	0.0001493	Pa×s	552.44	Calculated Property
η	0.0001160	Pa×s	584.40	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-en-2-yl 2-methylpent-3-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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