ChemSpider 2D Image | 6,6-Dibromo-5-hexen-3-yn-2-one | C6H4Br2O

6,6-Dibromo-5-hexen-3-yn-2-one

  • Molecular FormulaC6H4Br2O
  • Average mass251.903 Da
  • Monoisotopic mass249.862869 Da
  • ChemSpider ID88327118

More details:






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

5-Hexen-3-yn-2-one, 6,6-dibromo- [ACD/Index Name]
6,6-Dibrom-5-hexen-3-in-2-on [German] [ACD/IUPAC Name]
6,6-Dibromo-5-hexen-3-yn-2-one [ACD/IUPAC Name]
6,6-Dibromo-5-hexén-3-yn-2-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.0±0.1 g/cm3
Boiling Point: 211.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.7±3.0 kJ/mol
Flash Point: 72.4±16.7 °C
Index of Refraction: 1.592
Molar Refractivity: 43.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.20
ACD/KOC (pH 5.5): 557.65
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.20
ACD/KOC (pH 7.4): 557.65
Polar Surface Area: 17 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 127.8±3.0 cm3

Click to predict properties on the Chemicalize site






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