ChemSpider 2D Image | (1R,2S,4S)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile | C8H9N

(1R,2S,4S)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile

  • Molecular FormulaC8H9N
  • Average mass119.164 Da
  • Monoisotopic mass119.073502 Da
  • ChemSpider ID95600640

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-carbonitril [German] [ACD/IUPAC Name]
(1R,2S,4S)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile [ACD/IUPAC Name]
(1R,2S,4S)-Bicyclo[2.2.1]hept-5-ène-2-carbonitrile [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2-carbonitrile, (1R,2S,4S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 205.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 65.6±0.0 °C
Index of Refraction: 1.532
Molar Refractivity: 34.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.67
ACD/KOC (pH 5.5): 314.63
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.67
ACD/KOC (pH 7.4): 314.63
Polar Surface Area: 24 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 112.3±5.0 cm3

Click to predict properties on the Chemicalize site


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