ChemSpider 2D Image | (1R,2R)-2-Acetylcyclopentanecarbonitrile | C8H11NO

(1R,2R)-2-Acetylcyclopentanecarbonitrile

  • Molecular FormulaC8H11NO
  • Average mass137.179 Da
  • Monoisotopic mass137.084061 Da
  • ChemSpider ID24192485

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-2-Acetylcyclopentancarbonitril [German] [ACD/IUPAC Name]
(1R,2R)-2-Acetylcyclopentanecarbonitrile [ACD/IUPAC Name]
(1R,2R)-2-Acétylcyclopentanecarbonitrile [French] [ACD/IUPAC Name]
Cyclopentanecarbonitrile, 2-acetyl-, (1R,2R)- [ACD/Index Name]
54125-38-1 [RN]
Cyclopentanecarbonitrile, 2-acetyl-, trans- (9CI)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 263.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 113.4±25.4 °C
Index of Refraction: 1.463
Molar Refractivity: 37.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.04
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.75
ACD/KOC (pH 5.5): 52.05
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 52.05
Polar Surface Area: 41 Å2
Polarizability: 14.7±0.5 10-24cm3
Surface Tension: 36.9±5.0 dyne/cm
Molar Volume: 134.4±5.0 cm3

Click to predict properties on the Chemicalize site


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