ChemSpider 2D Image | 3-(3-Bromo-1-propyn-1-yl)bicyclo[4.1.0]hepta-1,3,5-triene | C10H7Br

3-(3-Bromo-1-propyn-1-yl)bicyclo[4.1.0]hepta-1,3,5-triene

  • Molecular FormulaC10H7Br
  • Average mass207.067 Da
  • Monoisotopic mass205.973099 Da
  • ChemSpider ID96032117

More details:

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

3-(3-Brom-1-propin-1-yl)bicyclo[4.1.0]hepta-1,3,5-trien [German] [ACD/IUPAC Name]
3-(3-Bromo-1-propyn-1-yl)bicyclo[4.1.0]hepta-1,3,5-triene [ACD/IUPAC Name]
3-(3-Bromo-1-propyn-1-yl)bicyclo[4.1.0]hepta-1,3,5-triène [French] [ACD/IUPAC Name]
Bicyclo[4.1.0]hepta-1,3,5-triene, 3-(3-bromo-1-propyn-1-yl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 304.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.3±3.0 kJ/mol
Flash Point: 141.7±20.4 °C
Index of Refraction: 1.659
Molar Refractivity: 49.0±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 283.02
ACD/KOC (pH 5.5): 1979.80
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 283.02
ACD/KOC (pH 7.4): 1979.80
Polar Surface Area: 0 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 132.8±5.0 cm3

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