ChemSpider 2D Image | 1-Bromo-3-(phenylethynyl)benzene | C14H9Br

1-Bromo-3-(phenylethynyl)benzene

  • Molecular FormulaC14H9Br
  • Average mass257.125 Da
  • Monoisotopic mass255.988754 Da
  • ChemSpider ID57583911

More details:

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

1-Brom-3-(phenylethinyl)benzol [German] [ACD/IUPAC Name]
1-bromo-3-(2-phenylethynyl)benzene
1-Bromo-3-(phenylethynyl)benzene [ACD/IUPAC Name]
1-Bromo-3-(phényléthynyl)benzène [French] [ACD/IUPAC Name]
29778-29-8 [RN]
Benzene, 1-bromo-3-(2-phenylethynyl)- [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: 353.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 167.1±17.6 °C
Index of Refraction: 1.662
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4606.92
ACD/KOC (pH 5.5): 14583.53
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4606.92
ACD/KOC (pH 7.4): 14583.53
Polar Surface Area: 0 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 179.6±5.0 cm3

Click to predict properties on the Chemicalize site


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