Chemical Properties of Hexamethylcyclohexane-1,3,5-trione (CAS 778-18-7)

InChI

InChI=1S/C12H18O3/c1-10(2)7(13)11(3,4)9(15)12(5,6)8(10)14/h1-6H3

InChI Key

DXLKLICKNIROHG-UHFFFAOYSA-N

Formula

C12H18O3

SMILES

CC1(C)C(=O)C(C)(C)C(=O)C(C)(C)C1=O

Molecular Weight¹

210.27

CAS

778-18-7

Other Names

• 2,2,4,4,6,6-Hexamethyl-1,3,5-cyclohexanetrione
• 2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione
• 1,3,5-Cyclohexanetrione, 2,2,4,4,6,6-hexamethyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[233.79; 656.19]	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			-1.02430e+02
Coefficient B			1.58382e+00
Coefficient C			-1.46500e-03
Coefficient D			6.39800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.79	J/mol×K	273.00	Calculated Property
Cp,gas	302.86	J/mol×K	353.78	Calculated Property
Cp,gas	361.68	J/mol×K	434.56	Calculated Property
Cp,gas	412.27	J/mol×K	515.33	Calculated Property
Cp,gas	456.64	J/mol×K	596.11	Calculated Property
Cp,gas	496.83	J/mol×K	676.89	Calculated Property
Cp,gas	534.86	J/mol×K	757.67	Calculated Property
Cp,gas	572.75	J/mol×K	838.44	Calculated Property
Cp,gas	612.51	J/mol×K	919.22	Calculated Property
Cp,gas	656.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexamethylcyclohexane-1,3,5-trione.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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