Chemical Properties of Cyclohexanone, 2,6-bis(phenylmethylene)- (CAS 897-78-9)

InChI

InChI=1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2/b18-14+,19-15+

InChI Key

CTKKGXDAWIAYSA-JSAVKQRWSA-N

Formula

C20H18O

SMILES

O=C1C(=Cc2ccccc2)CCCC1=Cc1ccccc1

Molecular Weight¹

274.36

CAS

897-78-9

Other Names

• 2,6-Bis(benzylidene)cyclohexanone
• 2,6-Dibenzylidenecyclohexanone
• 2,6-dibenzylidenecyclohexan-1-one
• Cyclohexanone, 2,6-dibenzylidene-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[265.85; 723.68]	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			-9.60200e+01
Coefficient B			1.57130e+00
Coefficient C			-9.56000e-04
Coefficient D			2.04400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	265.85	J/mol×K	273.00	Calculated Property
Cp,gas	349.27	J/mol×K	353.78	Calculated Property
Cp,gas	423.04	J/mol×K	434.56	Calculated Property
Cp,gas	487.81	J/mol×K	515.33	Calculated Property
Cp,gas	544.23	J/mol×K	596.11	Calculated Property
Cp,gas	592.95	J/mol×K	676.89	Calculated Property
Cp,gas	634.60	J/mol×K	757.67	Calculated Property
Cp,gas	669.85	J/mol×K	838.44	Calculated Property
Cp,gas	699.32	J/mol×K	919.22	Calculated Property
Cp,gas	723.68	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 2,6-bis(phenylmethylene)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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