ChemSpider 2D Image | 3-(2-deuteriophenyl)-3-oxo-propanenitrile | C9H6DNO

3-(2-deuteriophenyl)-3-oxo-propanenitrile

  • Molecular FormulaC9H6DNO
  • Average mass146.164 Da
  • Monoisotopic mass146.059036 Da
  • ChemSpider ID8995983

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Oxo-3-[(2-2H)phényl]propanenitrile [French] [ACD/IUPAC Name]
3-Oxo-3-[(2-2H)phenyl]propannitril [German] [ACD/IUPAC 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: 301.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.2±3.0 kJ/mol
Flash Point: 132.9±22.6 °C
Index of Refraction: 1.536
Molar Refractivity: 40.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.43
ACD/KOC (pH 5.5): 100.85
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.15
ACD/KOC (pH 7.4): 71.64
Polar Surface Area: 41 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 130.9±3.0 cm3

Click to predict properties on the Chemicalize site


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