Chemical Properties of 2,2-Dimethylpropionic acid, cyclohexyl ester

InChI

InChI=1S/C11H20O2/c1-11(2,3)10(12)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3

InChI Key

WDCXGSMKFYMFCM-UHFFFAOYSA-N

Formula

C11H20O2

SMILES

CC(C)(C)C(=O)OC1CCCCC1

Molecular Weight¹

184.28

Other Names

• Cyclohexyl pivalate

• 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).
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, 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	[215.59; 581.48]	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			-7.17800e+01
Coefficient B			1.24196e+00
Coefficient C			-7.32800e-04
Coefficient D			1.44100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.59	J/mol×K	273.00	Calculated Property
Cp,gas	282.26	J/mol×K	353.78	Calculated Property
Cp,gas	341.36	J/mol×K	434.56	Calculated Property
Cp,gas	393.36	J/mol×K	515.33	Calculated Property
Cp,gas	438.69	J/mol×K	596.11	Calculated Property
Cp,gas	477.83	J/mol×K	676.89	Calculated Property
Cp,gas	511.22	J/mol×K	757.67	Calculated Property
Cp,gas	539.32	J/mol×K	838.44	Calculated Property
Cp,gas	562.59	J/mol×K	919.22	Calculated Property
Cp,gas	581.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0096682; 0.0002086]	Pa×s	[265.86; 516.71]	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			-1.25405e+01
Coefficient B			2.10073e+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.			265.86
Temperature range, max.			516.71
η	0.0096682	Pa×s	265.86	Calculated Property
η	0.0045680	Pa×s	293.73	Calculated Property
η	0.0024578	Pa×s	321.60	Calculated Property
η	0.0014598	Pa×s	349.48	Calculated Property
η	0.0009364	Pa×s	377.35	Calculated Property
η	0.0006385	Pa×s	405.22	Calculated Property
η	0.0004574	Pa×s	433.09	Calculated Property
η	0.0003411	Pa×s	460.96	Calculated Property
η	0.0002631	Pa×s	488.83	Calculated Property
η	0.0002086	Pa×s	516.71	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethylpropionic acid, cyclohexyl 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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