ChemSpider 2D Image | 2-((4-Chlorophenyl)(5-oxocyclopent-1-enyl)methyl)-1,3-diphenylpropane-1,3-dione | C27H21ClO3

2-((4-Chlorophenyl)(5-oxocyclopent-1-enyl)methyl)-1,3-diphenylpropane-1,3-dione

  • Molecular FormulaC27H21ClO3
  • Average mass428.907 Da
  • Monoisotopic mass428.117920 Da
  • ChemSpider ID25944040

More details:

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

1,3-Propanedione, 2-[(4-chlorophenyl)(5-oxo-1-cyclopenten-1-yl)methyl]-1,3-diphenyl- [ACD/Index Name]
2-((4-Chlorophenyl)(5-oxocyclopent-1-enyl)methyl)-1,3-diphenylpropane-1,3-dione
2-[(4-Chlorophenyl)(5-oxo-1-cyclopenten-1-yl)methyl]-1,3-diphenyl-1,3-propanedione [ACD/IUPAC Name]
2-[(4-Chlorophényl)(5-oxo-1-cyclopentén-1-yl)méthyl]-1,3-diphényl-1,3-propanedione [French] [ACD/IUPAC Name]
2-[(4-Chlorphenyl)(5-oxo-1-cyclopenten-1-yl)methyl]-1,3-diphenyl-1,3-propandion [German] [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: 626.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 256.6±32.1 °C
Index of Refraction: 1.637
Molar Refractivity: 120.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19478.46
ACD/KOC (pH 5.5): 40789.51
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 10013.36
ACD/KOC (pH 7.4): 20968.81
Polar Surface Area: 51 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 336.2±3.0 cm3

Click to predict properties on the Chemicalize site


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