ChemSpider 2D Image | 4-(trans-4-Vinylcyclohexyl)benzonitrile | C15H17N

4-(trans-4-Vinylcyclohexyl)benzonitrile

  • Molecular FormulaC15H17N
  • Average mass211.302 Da
  • Monoisotopic mass211.136093 Da
  • ChemSpider ID24609212
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

4-(trans-4-Vinylcyclohexyl)benzonitril [German] [ACD/IUPAC Name]
4-(trans-4-Vinylcyclohexyl)benzonitrile [ACD/IUPAC Name]
4-(trans-4-Vinylcyclohexyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(trans-4-ethenylcyclohexyl)- [ACD/Index Name]
[96184-42-8]
96184-42-8 [RN]
MFCD11053490 [MDL number]
trans-4'-(4-Vinylcyclohexyl)benzonitrile
trans-4-(4-Vinylcyclohexyl)benzonitrile
TRANS-4-(4-VINYL-CYCLOHEXYL)-BENZONITRILE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 333.0±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 155.9±20.1 °C
Index of Refraction: 1.545
Molar Refractivity: 66.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1511.48
ACD/KOC (pH 5.5): 6567.70
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1511.48
ACD/KOC (pH 7.4): 6567.70
Polar Surface Area: 24 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 208.9±5.0 cm3

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