ChemSpider 2D Image | 3-Oxabicyclo[3.2.0]hepta-1,4-diene | C6H6O

3-Oxabicyclo[3.2.0]hepta-1,4-diene

  • Molecular FormulaC6H6O
  • Average mass94.111 Da
  • Monoisotopic mass94.041862 Da
  • ChemSpider ID21405751

More details:






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

3-Oxabicyclo[3.2.0]hepta-1,4-dien [German] [ACD/IUPAC Name]
3-Oxabicyclo[3.2.0]hepta-1,4-diene [ACD/Index Name] [ACD/IUPAC Name]
3-Oxabicyclo[3.2.0]hepta-1,4-diène [French] [ACD/IUPAC Name]
40968-57-8 [RN]
MFCD21338814

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 129.1±9.0 °C at 760 mmHg
Vapour Pressure: 12.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.2±3.0 kJ/mol
Flash Point: 28.0±5.6 °C
Index of Refraction: 1.537
Molar Refractivity: 26.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.11
ACD/KOC (pH 5.5): 276.73
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.11
ACD/KOC (pH 7.4): 276.73
Polar Surface Area: 13 Å2
Polarizability: 10.4±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 83.6±3.0 cm3

Click to predict properties on the Chemicalize site






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