ChemSpider 2D Image | 1-(2,5-Dibromophenyl)-3-butyn-1-one | C10H6Br2O

1-(2,5-Dibromophenyl)-3-butyn-1-one

  • Molecular FormulaC10H6Br2O
  • Average mass301.962 Da
  • Monoisotopic mass299.878540 Da
  • ChemSpider ID61571805

More details:

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

1-(2,5-Dibromophenyl)-3-butyn-1-one [ACD/IUPAC Name]
1-(2,5-Dibromophényl)-3-butyn-1-one [French] [ACD/IUPAC Name]
1-(2,5-Dibromphenyl)-3-butin-1-on [German] [ACD/IUPAC Name]
3-Butyn-1-one, 1-(2,5-dibromophenyl)- [ACD/Index Name]
1598026-26-6 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 361.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.7±3.0 kJ/mol
Flash Point: 125.6±14.4 °C
Index of Refraction: 1.607
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 219.93
ACD/KOC (pH 5.5): 1652.79
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 219.93
ACD/KOC (pH 7.4): 1652.79
Polar Surface Area: 17 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 170.1±3.0 cm3

Click to predict properties on the Chemicalize site


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