ChemSpider 2D Image | Bicyclo[2.2.2]oct-5-en-2-one | C8H10O

Bicyclo[2.2.2]oct-5-en-2-one

  • Molecular FormulaC8H10O
  • Average mass122.164 Da
  • Monoisotopic mass122.073166 Da
  • ChemSpider ID29366801

  • 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]oct-5-en-2-on [German] [ACD/IUPAC Name]
(1S,4S)-Bicyclo[2.2.2]oct-5-en-2-one [ACD/IUPAC Name]
(1S,4S)-Bicyclo[2.2.2]oct-5-én-2-one [French] [ACD/IUPAC Name]
2220-40-8 [RN]
Bicyclo[2.2.2]oct-5-en-2-one [ACD/Index Name] [ACD/IUPAC Name]
Bicyclo[2.2.2]oct-5-en-2-one, (1S,4S)- [ACD/Index Name]
[2.2.2]OCT-5-EN-2-ONE
68069-67-0 [RN]
Bicyclo[2.2.2]oct-5-en-2-one, (1S)- [ACD/Index Name]
KS-8222
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 203.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.0±3.0 kJ/mol
Flash Point: 75.2±13.7 °C
Index of Refraction: 1.527
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.92
ACD/KOC (pH 5.5): 108.93
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.92
ACD/KOC (pH 7.4): 108.93
Polar Surface Area: 17 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 112.7±3.0 cm3

Click to predict properties on the Chemicalize site


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