ChemSpider 2D Image | 1-Bromo-4-[(3E)-3,5-hexadien-1-yn-1-yl]benzene | C12H9Br

1-Bromo-4-[(3E)-3,5-hexadien-1-yn-1-yl]benzene

  • Molecular FormulaC12H9Br
  • Average mass233.104 Da
  • Monoisotopic mass231.988754 Da
  • ChemSpider ID85326453

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Brom-4-[(3E)-3,5-hexadien-1-in-1-yl]benzol [German] [ACD/IUPAC Name]
1-Bromo-4-[(3E)-3,5-hexadien-1-yn-1-yl]benzene [ACD/IUPAC Name]
1-Bromo-4-[(3E)-3,5-hexadién-1-yn-1-yl]benzène [French] [ACD/IUPAC Name]
Benzene, 1-bromo-4-[(3E)-3,5-hexadien-1-yn-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 291.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 129.6±19.5 °C
Index of Refraction: 1.607
Molar Refractivity: 59.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1791.33
ACD/KOC (pH 5.5): 7416.87
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1791.33
ACD/KOC (pH 7.4): 7416.87
Polar Surface Area: 0 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 173.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement