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

(5Z)-5,6-Dibromo-5-hexen-3-yn-2-one

  • Molecular FormulaC6H4Br2O
  • Average mass251.903 Da
  • Monoisotopic mass249.862869 Da
  • ChemSpider ID86409012

More details:






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

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

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

Density: 2.0±0.1 g/cm3
Boiling Point: 236.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 87.2±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): 2.35
ACD/BCF (pH 5.5): 35.77
ACD/KOC (pH 5.5): 450.42
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.77
ACD/KOC (pH 7.4): 450.42
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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