ChemSpider 2D Image | Diethyl 4,5-bis(4-bromophenyl)-2-oxo-3,5-cyclopentadiene-1,3-dicarboxylate | C23H18Br2O5

Diethyl 4,5-bis(4-bromophenyl)-2-oxo-3,5-cyclopentadiene-1,3-dicarboxylate

  • Molecular FormulaC23H18Br2O5
  • Average mass534.194 Da
  • Monoisotopic mass531.952087 Da
  • ChemSpider ID21130786

More details:

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

3,5-Cyclopentadiene-1,3-dicarboxylic acid, 4,5-bis(4-bromophenyl)-2-oxo-, diethyl ester [ACD/Index Name]
4,5-Bis(4-bromophényl)-2-oxo-3,5-cyclopentadiène-1,3-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 4,5-bis(4-bromophenyl)-2-oxo-3,5-cyclopentadiene-1,3-dicarboxylate [ACD/IUPAC Name]
Diethyl-4,5-bis(4-bromphenyl)-2-oxo-3,5-cyclopentadien-1,3-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 639.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.2±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7927.58
ACD/KOC (pH 5.5): 21507.79
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7927.58
ACD/KOC (pH 7.4): 21507.79
Polar Surface Area: 70 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 332.7±3.0 cm3

Click to predict properties on the Chemicalize site


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