ChemSpider 2D Image | 1,1-Dibromo-5-methyl-1,5-hexadien-3-yne | C7H6Br2

1,1-Dibromo-5-methyl-1,5-hexadien-3-yne

  • Molecular FormulaC7H6Br2
  • Average mass249.930 Da
  • Monoisotopic mass247.883606 Da
  • ChemSpider ID86240030

More details:

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

1,1-Dibrom-5-methyl-1,5-hexadien-3-in [German] [ACD/IUPAC Name]
1,1-Dibromo-5-methyl-1,5-hexadien-3-yne [ACD/IUPAC Name]
1,1-Dibromo-5-méthyl-1,5-hexadién-3-yne [French] [ACD/IUPAC Name]
1,5-Hexadien-3-yne, 1,1-dibromo-5-methyl- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 185.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.5±3.0 kJ/mol
Flash Point: 62.0±23.8 °C
Index of Refraction: 1.582
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 267.16
ACD/KOC (pH 5.5): 1899.71
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 267.16
ACD/KOC (pH 7.4): 1899.71
Polar Surface Area: 0 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 142.1±3.0 cm3

Click to predict properties on the Chemicalize site


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