ChemSpider 2D Image | (1R,2R,4R)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrile | C9H11N

(1R,2R,4R)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrile

  • Molecular FormulaC9H11N
  • Average mass133.190 Da
  • Monoisotopic mass133.089142 Da
  • ChemSpider ID72828157

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,4R)-Bicyclo[2.2.2]oct-5-en-2-carbonitril [German] [ACD/IUPAC Name]
(1R,2R,4R)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrile [ACD/IUPAC Name]
(1R,2R,4R)-Bicyclo[2.2.2]oct-5-ène-2-carbonitrile [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, (1R,2R,4R)- [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: 244.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.2±3.0 kJ/mol
Flash Point: 85.9±17.1 °C
Index of Refraction: 1.524
Molar Refractivity: 39.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.97
ACD/KOC (pH 5.5): 241.40
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.97
ACD/KOC (pH 7.4): 241.40
Polar Surface Area: 24 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 128.9±5.0 cm3

Click to predict properties on the Chemicalize site


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