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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.57; 702.23]	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			-2.53070e+01
Coefficient B			1.24884e+00
Coefficient C			-5.62000e-04
Coefficient D			4.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.57	J/mol×K	273.00	Calculated Property
Cp,gas	347.97	J/mol×K	353.78	Calculated Property
Cp,gas	414.60	J/mol×K	434.56	Calculated Property
Cp,gas	474.58	J/mol×K	515.33	Calculated Property
Cp,gas	528.06	J/mol×K	596.11	Calculated Property
Cp,gas	575.15	J/mol×K	676.89	Calculated Property
Cp,gas	615.98	J/mol×K	757.67	Calculated Property
Cp,gas	650.69	J/mol×K	838.44	Calculated Property
Cp,gas	679.39	J/mol×K	919.22	Calculated Property
Cp,gas	702.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056374; 0.0001611]	Pa×s	[293.21; 555.35]	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			-1.27102e+01
Coefficient B			2.20842e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			293.21
Temperature range, max.			555.35
η	0.0056374	Pa×s	293.21	Calculated Property
η	0.0028544	Pa×s	322.34	Calculated Property
η	0.0016178	Pa×s	351.46	Calculated Property
η	0.0010002	Pa×s	380.59	Calculated Property
η	0.0006621	Pa×s	409.71	Calculated Property
η	0.0004630	Pa×s	438.84	Calculated Property
η	0.0003385	Pa×s	467.97	Calculated Property
η	0.0002567	Pa×s	497.09	Calculated Property
η	0.0002008	Pa×s	526.22	Calculated Property
η	0.0001611	Pa×s	555.35	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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