ChemSpider 2D Image | (2S)-Bicyclo[2.2.2]octane-2-carbonitrile | C9H13N

(2S)-Bicyclo[2.2.2]octane-2-carbonitrile

  • Molecular FormulaC9H13N
  • Average mass135.206 Da
  • Monoisotopic mass135.104797 Da
  • ChemSpider ID96865093

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-Bicyclo[2.2.2]octan-2-carbonitril [German] [ACD/IUPAC Name]
(2S)-Bicyclo[2.2.2]octane-2-carbonitrile [ACD/IUPAC Name]
(2S)-Bicyclo[2.2.2]octane-2-carbonitrile [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]octane-2-carbonitrile, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 243.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.0±3.0 kJ/mol
Flash Point: 93.4±6.5 °C
Index of Refraction: 1.495
Molar Refractivity: 39.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.75
ACD/KOC (pH 5.5): 385.25
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.75
ACD/KOC (pH 7.4): 385.25
Polar Surface Area: 24 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 135.6±5.0 cm3

Click to predict properties on the Chemicalize site


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