ChemSpider 2D Image | 2-(4-Bromobenzyl)-1,3-diphenyl-1,3-propanedione | C22H17BrO2

2-(4-Bromobenzyl)-1,3-diphenyl-1,3-propanedione

  • Molecular FormulaC22H17BrO2
  • Average mass393.273 Da
  • Monoisotopic mass392.041199 Da
  • ChemSpider ID21130369

More details:






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

1,3-Propanedione, 2-[(4-bromophenyl)methyl]-1,3-diphenyl- [ACD/Index Name]
2-(4-Brombenzyl)-1,3-diphenyl-1,3-propandion [German] [ACD/IUPAC Name]
2-(4-Bromobenzyl)-1,3-diphenyl-1,3-propanedione [ACD/IUPAC Name]
2-(4-Bromobenzyl)-1,3-diphényl-1,3-propanedione [French] [ACD/IUPAC Name]
2-(4-bromobenzyl)-1,3-diphenylpropane-1,3-dione
70777-68-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 538.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 124.6±16.7 °C
Index of Refraction: 1.624
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7257.51
ACD/KOC (pH 5.5): 20181.26
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6460.05
ACD/KOC (pH 7.4): 17963.73
Polar Surface Area: 34 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 290.7±3.0 cm3

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