ChemSpider 2D Image | 3-Bromo-1,3,5-cycloheptatriene | C7H7Br

3-Bromo-1,3,5-cycloheptatriene

  • Molecular FormulaC7H7Br
  • Average mass171.035 Da
  • Monoisotopic mass169.973099 Da
  • ChemSpider ID62818918

More details:

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

1,3,5-Cycloheptatriene, 3-bromo- [ACD/Index Name]
3-Brom-1,3,5-cycloheptatrien [German] [ACD/IUPAC Name]
3-Bromo-1,3,5-cycloheptatriene [ACD/IUPAC Name]
3-Bromo-1,3,5-cycloheptatriène [French] [ACD/IUPAC Name]
827598-93-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 207.5±29.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.6±3.0 kJ/mol
Flash Point: 83.9±18.7 °C
Index of Refraction: 1.582
Molar Refractivity: 38.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.69
ACD/KOC (pH 5.5): 718.59
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.69
ACD/KOC (pH 7.4): 718.59
Polar Surface Area: 0 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 116.4±3.0 cm3

Click to predict properties on the Chemicalize site


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