ChemSpider 2D Image | 7-(3-Oxocyclohexyl)heptanenitrile | C13H21NO

7-(3-Oxocyclohexyl)heptanenitrile

  • Molecular FormulaC13H21NO
  • Average mass207.312 Da
  • Monoisotopic mass207.162308 Da
  • ChemSpider ID21398652

More details:

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

7-(3-Oxocyclohexyl)heptanenitrile [ACD/IUPAC Name]
7-(3-Oxocyclohexyl)heptanenitrile [French] [ACD/IUPAC Name]
7-(3-Oxocyclohexyl)heptannitril [German] [ACD/IUPAC Name]
898784-99-1 [RN]
Cyclohexaneheptanenitrile, 3-oxo- [ACD/Index Name]
MFCD03841037 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 355.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 168.8±20.4 °C
Index of Refraction: 1.468
Molar Refractivity: 60.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.66
ACD/KOC (pH 5.5): 703.30
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.66
ACD/KOC (pH 7.4): 703.30
Polar Surface Area: 41 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 216.4±3.0 cm3

Click to predict properties on the Chemicalize site


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