Chemical Properties of Cyclohexanebutyramide, 4,4-dimethyl-2,6-dioxo-

InChI

InChI=1S/C12H19NO3/c1-12(2)6-9(14)8(10(15)7-12)4-3-5-11(13)16/h8H,3-7H2,1-2H3,(H2,13,16)

InChI Key

NYTXFBAMIMMEMU-UHFFFAOYSA-N

Formula

C12H19NO3

SMILES

CC1(C)CC(=O)C(CCCC(N)=O)C(=O)C1

Molecular Weight¹

225.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[254.30; 660.73]	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			-3.09670e+01
Coefficient B			1.22864e+00
Coefficient C			-7.23900e-04
Coefficient D			1.86960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.30	J/mol×K	273.00	Calculated Property
Cp,gas	321.37	J/mol×K	353.78	Calculated Property
Cp,gas	381.59	J/mol×K	434.56	Calculated Property
Cp,gas	435.53	J/mol×K	515.33	Calculated Property
Cp,gas	483.81	J/mol×K	596.11	Calculated Property
Cp,gas	526.99	J/mol×K	676.89	Calculated Property
Cp,gas	565.69	J/mol×K	757.67	Calculated Property
Cp,gas	600.48	J/mol×K	838.44	Calculated Property
Cp,gas	631.97	J/mol×K	919.22	Calculated Property
Cp,gas	660.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanebutyramide, 4,4-dimethyl-2,6-dioxo-.

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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