Chemical Properties of Cyclohexanecarboxylic acid, 3-methylbut-2-yl ester

InChI

InChI=1S/C12H22O2/c1-9(2)10(3)14-12(13)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3

InChI Key

VJIWTPJDGKMXCO-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

CC(C)C(C)OC(=O)C1CCCCC1

Molecular Weight¹

198.30

• 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	[237.64; 632.68]	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			-5.15800e+01
Coefficient B			1.22296e+00
Coefficient C			-6.21800e-04
Coefficient D			8.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.64	J/mol×K	273.00	Calculated Property
Cp,gas	306.93	J/mol×K	353.78	Calculated Property
Cp,gas	369.26	J/mol×K	434.56	Calculated Property
Cp,gas	424.89	J/mol×K	515.33	Calculated Property
Cp,gas	474.09	J/mol×K	596.11	Calculated Property
Cp,gas	517.10	J/mol×K	676.89	Calculated Property
Cp,gas	554.21	J/mol×K	757.67	Calculated Property
Cp,gas	585.67	J/mol×K	838.44	Calculated Property
Cp,gas	611.73	J/mol×K	919.22	Calculated Property
Cp,gas	632.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0164950; 0.0001904]	Pa×s	[244.71; 529.46]	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			-1.24002e+01
Coefficient B			2.02999e+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.			244.71
Temperature range, max.			529.46
η	0.0164950	Pa×s	244.71	Calculated Property
η	0.0063809	Pa×s	276.35	Calculated Property
η	0.0030002	Pa×s	307.99	Calculated Property
η	0.0016236	Pa×s	339.63	Calculated Property
η	0.0009756	Pa×s	371.27	Calculated Property
η	0.0006350	Pa×s	402.91	Calculated Property
η	0.0004400	Pa×s	434.55	Calculated Property
η	0.0003205	Pa×s	466.19	Calculated Property
η	0.0002430	Pa×s	497.83	Calculated Property
η	0.0001904	Pa×s	529.46	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanecarboxylic acid, 3-methylbut-2-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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