ChemSpider 2D Image | Bicyclo[2.2.2]octane-2,6-dione | C8H10O2

Bicyclo[2.2.2]octane-2,6-dione

  • Molecular FormulaC8H10O2
  • Average mass138.164 Da
  • Monoisotopic mass138.068085 Da
  • ChemSpider ID61482689

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1s,4s)-Bicyclo[2.2.2]octan-2,6-dion [German] [ACD/IUPAC Name]
(1s,4s)-Bicyclo[2.2.2]octane-2,6-dione [ACD/IUPAC Name]
(1s,4s)-Bicyclo[2.2.2]octane-2,6-dione [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]octane-2,6-dione [ACD/Index Name] [ACD/IUPAC Name]
Bicyclo[2.2.2]octane-2,6-dione [French] [ACD/Index Name] [ACD/IUPAC Name]
38231-60-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 275.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.4±3.0 kJ/mol
Flash Point: 102.4±16.8 °C
Index of Refraction: 1.519
Molar Refractivity: 35.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 37.15
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 37.14
Polar Surface Area: 34 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 115.9±3.0 cm3

Click to predict properties on the Chemicalize site


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