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

InChI

InChI=1S/C13H24O3/c1-11(8-9-15-2)10-16-13(14)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3

InChI Key

GKGFDAYVMUTBPY-UHFFFAOYSA-N

Formula

C13H24O3

SMILES

COCCC(C)COC(=O)C1CCCCC1

Molecular Weight¹

228.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[536.20; 638.04]	J/mol×K	[614.66; 813.47]
Cp,gas	536.20	J/mol×K	614.66	Joback Calculated Property
Cp,gas	555.68	J/mol×K	647.80	Joback Calculated Property
Cp,gas	574.15	J/mol×K	680.93	Joback Calculated Property
Cp,gas	591.61	J/mol×K	714.07	Joback Calculated Property
Cp,gas	608.07	J/mol×K	747.20	Joback Calculated Property
Cp,gas	623.55	J/mol×K	780.34	Joback Calculated Property
Cp,gas	638.04	J/mol×K	813.47	Joback Calculated Property
η	[0.0001334; 0.0033120]	Pa×s	[323.04; 614.66]
η	0.0033120	Pa×s	323.04	Joback Calculated Property
η	0.0013664	Pa×s	371.64	Joback Calculated Property
η	0.0006918	Pa×s	420.25	Joback Calculated Property
η	0.0004034	Pa×s	468.85	Joback Calculated Property
η	0.0002603	Pa×s	517.45	Joback Calculated Property
η	0.0001811	Pa×s	566.06	Joback Calculated Property
η	0.0001334	Pa×s	614.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-2-methylbutyl 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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