ChemSpider 2D Image | 4-[Bis(4-methylphenyl)methylene]-2,6-dichloro-2,5-cyclohexadien-1-one | C21H16Cl2O

4-[Bis(4-methylphenyl)methylene]-2,6-dichloro-2,5-cyclohexadien-1-one

  • Molecular FormulaC21H16Cl2O
  • Average mass355.257 Da
  • Monoisotopic mass354.057831 Da
  • ChemSpider ID30652481

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,5-Cyclohexadien-1-one, 4-[bis(4-methylphenyl)methylene]-2,6-dichloro- [ACD/Index Name]
4-[Bis(4-methylphenyl)methylen]-2,6-dichlor-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-[Bis(4-methylphenyl)methylene]-2,6-dichloro-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-[Bis(4-méthylphényl)méthylène]-2,6-dichloro-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 495.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 207.6±29.3 °C
Index of Refraction: 1.640
Molar Refractivity: 99.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6299.78
ACD/KOC (pH 5.5): 18245.21
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6299.78
ACD/KOC (pH 7.4): 18245.21
Polar Surface Area: 17 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 276.8±5.0 cm3

Click to predict properties on the Chemicalize site


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