Chemical Properties of Cyclohexanone, 2,2-dimethyl-6,6-diphenyl-

InChI

InChI=1S/C20H22O/c1-19(2)14-9-15-20(18(19)21,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3

InChI Key

LKGJEIWVWSCBGA-UHFFFAOYSA-N

Formula

C20H22O

SMILES

CC1(C)CCCC(c2ccccc2)(c2ccccc2)C1=O

Molecular Weight¹

278.39

• 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).
• 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, 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	[277.90; 819.62]	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			-2.06320e+02
Coefficient B			2.25714e+00
Coefficient C			-1.97340e-03
Coefficient D			7.42200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	277.90	J/mol×K	273.00	Calculated Property
Cp,gas	378.08	J/mol×K	353.78	Calculated Property
Cp,gas	462.78	J/mol×K	434.56	Calculated Property
Cp,gas	534.36	J/mol×K	515.33	Calculated Property
Cp,gas	595.16	J/mol×K	596.11	Calculated Property
Cp,gas	647.53	J/mol×K	676.89	Calculated Property
Cp,gas	693.81	J/mol×K	757.67	Calculated Property
Cp,gas	736.35	J/mol×K	838.44	Calculated Property
Cp,gas	777.51	J/mol×K	919.22	Calculated Property
Cp,gas	819.62	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 2,2-dimethyl-6,6-diphenyl-.

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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