ChemSpider 2D Image | 3-Cyanophenyl cyclobutyl ketone | C12H11NO

3-Cyanophenyl cyclobutyl ketone

  • Molecular FormulaC12H11NO
  • Average mass185.222 Da
  • Monoisotopic mass185.084061 Da
  • ChemSpider ID21398820

More details:

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

3-(Cyclobutylcarbonyl)benzonitril [German] [ACD/IUPAC Name]
3-(Cyclobutylcarbonyl)benzonitrile [ACD/IUPAC Name]
3-(Cyclobutylcarbonyl)benzonitrile [French] [ACD/IUPAC Name]
3-Cyanophenyl cyclobutyl ketone
898790-48-2 [RN]
Benzonitrile, 3-(cyclobutylcarbonyl)- [ACD/Index Name]
(3-cyanophenyl)(cyclobutyl)methanone
3-(cyclobutanecarbonyl)benzonitrile
3-cyclobutanecarbonylbenzonitrile
97%
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 330.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.3±3.0 kJ/mol
Flash Point: 153.4±23.2 °C
Index of Refraction: 1.566
Molar Refractivity: 52.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.70
ACD/KOC (pH 5.5): 413.08
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.70
ACD/KOC (pH 7.4): 413.08
Polar Surface Area: 41 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 161.0±5.0 cm3

Click to predict properties on the Chemicalize site


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