ChemSpider 2D Image | Bicyclo[3.3.1]nonan-9-one | C9H14O

Bicyclo[3.3.1]nonan-9-one

  • Molecular FormulaC9H14O
  • Average mass138.207 Da
  • Monoisotopic mass138.104462 Da
  • ChemSpider ID27473129

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1s,5s)-Bicyclo[3.3.1]nonan-9-on [German] [ACD/IUPAC Name]
(1s,5s)-Bicyclo[3.3.1]nonan-9-one [ACD/IUPAC Name]
(1s,5s)-Bicyclo[3.3.1]nonan-9-one [French] [ACD/IUPAC Name]
17931-55-4 [RN]
241-868-2 [EINECS]
Bicyclo[3.3.1]nonan-9-one [ACD/Index Name] [ACD/IUPAC Name]
MFCD00074752 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 219.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 79.6±10.7 °C
Index of Refraction: 1.490
Molar Refractivity: 39.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.91
ACD/KOC (pH 5.5): 317.14
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.91
ACD/KOC (pH 7.4): 317.14
Polar Surface Area: 17 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 137.2±3.0 cm3

Click to predict properties on the Chemicalize site


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