ChemSpider 2D Image | 4,5-Bis(methylene)bicyclo[1.1.1]pentan-2-one | C7H6O

4,5-Bis(methylene)bicyclo[1.1.1]pentan-2-one

  • Molecular FormulaC7H6O
  • Average mass106.122 Da
  • Monoisotopic mass106.041862 Da
  • ChemSpider ID60682384

More details:

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

4,5-Bis(methylene)bicyclo[1.1.1]pentan-2-one [ACD/IUPAC Name]
4,5-Dimethylenbicyclo[1.1.1]pentan-2-on [German] [ACD/IUPAC Name]
4,5-Diméthylènebicyclo[1.1.1]pentan-2-one [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentan-2-one, 4,5-bis(methylene)- [ACD/Index Name]
85570-50-9 [RN]
MFCD24703997

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

Density: 1.1±0.1 g/cm3
Boiling Point: 174.1±9.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.0±3.0 kJ/mol
Flash Point: 58.8±13.7 °C
Index of Refraction: 1.532
Molar Refractivity: 29.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 74.30
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.88
ACD/KOC (pH 7.4): 74.30
Polar Surface Area: 17 Å2
Polarizability: 11.7±0.5 10-24cm3
Surface Tension: 30.1±5.0 dyne/cm
Molar Volume: 95.3±5.0 cm3

Click to predict properties on the Chemicalize site


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