ChemSpider 2D Image | Oxanorbornadiene | C6H6O

Oxanorbornadiene

  • Molecular FormulaC6H6O
  • Average mass94.111 Da
  • Monoisotopic mass94.041862 Da
  • ChemSpider ID29361914
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1s,4s)-7-Oxabicyclo[2.2.1]hepta-2,5-dien [German] [ACD/IUPAC Name]
(1s,4s)-7-Oxabicyclo[2.2.1]hepta-2,5-diene [ACD/IUPAC Name]
(1s,4s)-7-Oxabicyclo[2.2.1]hepta-2,5-diène [French] [ACD/IUPAC Name]
7-Oxabicyclo[2.2.1]hepta-2,5-diene [ACD/Index Name] [ACD/IUPAC Name]
Oxanorbornadiene [Wiki]
6569-83-1 [RN]
7-oxanorbornadiene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 135.8±40.0 °C at 760 mmHg
Vapour Pressure: 9.4±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.8±3.0 kJ/mol
Flash Point: 24.9±25.3 °C
Index of Refraction: 1.554
Molar Refractivity: 26.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 80.37
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.22
ACD/KOC (pH 7.4): 80.37
Polar Surface Area: 9 Å2
Polarizability: 10.5±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 82.8±3.0 cm3

Click to predict properties on the Chemicalize site





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