Chemical Properties of 2-Ethylbutyric acid, 5-methoxy-3-methylpentyl ester

InChI

InChI=1S/C13H26O3/c1-5-12(6-2)13(14)16-10-8-11(3)7-9-15-4/h11-12H,5-10H2,1-4H3

InChI Key

SQCYWFMCZHYGDV-UHFFFAOYSA-N

Formula

C13H26O3

SMILES

CCC(CC)C(=O)OCCC(C)CCOC

Molecular Weight¹

230.34

• 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	[312.37; 717.70]	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			3.86160e+01
Coefficient B			1.13268e+00
Coefficient C			-4.84200e-04
Coefficient D			3.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	312.37	J/mol×K	273.00	Calculated Property
Cp,gas	380.09	J/mol×K	353.78	Calculated Property
Cp,gas	441.90	J/mol×K	434.56	Calculated Property
Cp,gas	497.92	J/mol×K	515.33	Calculated Property
Cp,gas	548.24	J/mol×K	596.11	Calculated Property
Cp,gas	592.95	J/mol×K	676.89	Calculated Property
Cp,gas	632.16	J/mol×K	757.67	Calculated Property
Cp,gas	665.95	J/mol×K	838.44	Calculated Property
Cp,gas	694.43	J/mol×K	919.22	Calculated Property
Cp,gas	717.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0069061; 0.0001568]	Pa×s	[270.83; 523.97]	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			-1.28104e+01
Coefficient B			2.12197e+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.			270.83
Temperature range, max.			523.97
η	0.0069061	Pa×s	270.83	Calculated Property
η	0.0033044	Pa×s	298.96	Calculated Property
η	0.0017948	Pa×s	327.08	Calculated Property
η	0.0010738	Pa×s	355.21	Calculated Property
η	0.0006927	Pa×s	383.34	Calculated Property
η	0.0004745	Pa×s	411.46	Calculated Property
η	0.0003411	Pa×s	439.59	Calculated Property
η	0.0002552	Pa×s	467.72	Calculated Property
η	0.0001973	Pa×s	495.84	Calculated Property
η	0.0001568	Pa×s	523.97	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 5-methoxy-3-methylpentyl 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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