ChemSpider 2D Image | 1-(4-Bromo-1-butyn-1-yl)-3-ethynylbenzene | C12H9Br

1-(4-Bromo-1-butyn-1-yl)-3-ethynylbenzene

  • Molecular FormulaC12H9Br
  • Average mass233.104 Da
  • Monoisotopic mass231.988754 Da
  • ChemSpider ID93503921

More details:

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

1-(4-Brom-1-butin-1-yl)-3-ethinylbenzol [German] [ACD/IUPAC Name]
1-(4-Bromo-1-butyn-1-yl)-3-ethynylbenzene [ACD/IUPAC Name]
1-(4-Bromo-1-butyn-1-yl)-3-éthynylbenzène [French] [ACD/IUPAC Name]
Benzene, 1-(4-bromo-1-butyn-1-yl)-3-ethynyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 317.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 145.5±18.1 °C
Index of Refraction: 1.599
Molar Refractivity: 58.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 850.21
ACD/KOC (pH 5.5): 4350.66
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 850.21
ACD/KOC (pH 7.4): 4350.66
Polar Surface Area: 0 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 169.9±5.0 cm3

Click to predict properties on the Chemicalize site


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