Chemical Properties of Nonanoic acid, 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C15H30O3/c1-4-5-6-7-8-9-10-15(16)18-13-14(2)11-12-17-3/h14H,4-13H2,1-3H3

InChI Key

VOBXHCAGLYWYDA-UHFFFAOYSA-N

Formula

C15H30O3

SMILES

CCCCCCCCC(=O)OCC(C)CCOC

Molecular Weight¹

258.40

• 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	[355.12; 820.34]	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			3.84800e+01
Coefficient B			1.31676e+00
Coefficient C			-5.89800e-04
Coefficient D			5.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	355.12	J/mol×K	273.00	Calculated Property
Cp,gas	432.93	J/mol×K	353.78	Calculated Property
Cp,gas	503.81	J/mol×K	434.56	Calculated Property
Cp,gas	567.93	J/mol×K	515.33	Calculated Property
Cp,gas	625.46	J/mol×K	596.11	Calculated Property
Cp,gas	676.57	J/mol×K	676.89	Calculated Property
Cp,gas	721.44	J/mol×K	757.67	Calculated Property
Cp,gas	760.25	J/mol×K	838.44	Calculated Property
Cp,gas	793.15	J/mol×K	919.22	Calculated Property
Cp,gas	820.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037343; 0.0001429]	Pa×s	[308.37; 553.47]	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			-1.29595e+01
Coefficient B			2.27247e+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.			308.37
Temperature range, max.			553.47
η	0.0037343	Pa×s	308.37	Calculated Property
η	0.0020536	Pa×s	335.60	Calculated Property
η	0.0012353	Pa×s	362.84	Calculated Property
η	0.0007978	Pa×s	390.07	Calculated Property
η	0.0005455	Pa×s	417.30	Calculated Property
η	0.0003907	Pa×s	444.54	Calculated Property
η	0.0002909	Pa×s	471.77	Calculated Property
η	0.0002236	Pa×s	499.00	Calculated Property
η	0.0001767	Pa×s	526.24	Calculated Property
η	0.0001429	Pa×s	553.47	Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, 4-methoxy-2-methylbutyl ester.

Sources

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

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