Chemical Properties of Dimethylmalonic acid, isobutyl trans-4-methylcyclohexyl ester

InChI

InChI=1S/C16H28O4/c1-11(2)10-19-14(17)16(4,5)15(18)20-13-8-6-12(3)7-9-13/h11-13H,6-10H2,1-5H3

InChI Key

DUAMWUBVOSLGCE-UHFFFAOYSA-N

Formula

C16H28O4

SMILES

CC(C)COC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

284.39

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[339.95; 854.74]	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			-4.66590e+01
Coefficient B			1.64160e+00
Coefficient C			-8.58000e-04
Coefficient D			1.17800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	339.95	J/mol×K	273.00	Calculated Property
Cp,gas	431.93	J/mol×K	353.78	Calculated Property
Cp,gas	514.35	J/mol×K	434.56	Calculated Property
Cp,gas	587.58	J/mol×K	515.33	Calculated Property
Cp,gas	651.98	J/mol×K	596.11	Calculated Property
Cp,gas	707.94	J/mol×K	676.89	Calculated Property
Cp,gas	755.82	J/mol×K	757.67	Calculated Property
Cp,gas	796.00	J/mol×K	838.44	Calculated Property
Cp,gas	828.85	J/mol×K	919.22	Calculated Property
Cp,gas	854.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040642; 0.0001126]	Pa×s	[345.30; 627.89]	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			-1.34736e+01
Coefficient B			2.75138e+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.			345.30
Temperature range, max.			627.89
η	0.0040642	Pa×s	345.30	Calculated Property
η	0.0020919	Pa×s	376.70	Calculated Property
η	0.0011925	Pa×s	408.10	Calculated Property
η	0.0007367	Pa×s	439.50	Calculated Property
η	0.0004853	Pa×s	470.89	Calculated Property
η	0.0003368	Pa×s	502.29	Calculated Property
η	0.0002440	Pa×s	533.69	Calculated Property
η	0.0001832	Pa×s	565.09	Calculated Property
η	0.0001418	Pa×s	596.49	Calculated Property
η	0.0001126	Pa×s	627.89	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, isobutyl trans-4-methylcyclohexyl 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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