ChemSpider 2D Image | 2-{[(~2~H_3_)-2-Oxiranyl(~2~H_2_)methyl]oxy}benzonitrile | C10H4D5NO2

2-{[(2H3)-2-Oxiranyl(2H2)methyl]oxy}benzonitrile

  • Molecular FormulaC10H4D5NO2
  • Average mass180.215 Da
  • Monoisotopic mass180.094711 Da
  • ChemSpider ID58784525

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{[(2H3)-2-Oxiranyl(2H2)methyl]oxy}benzonitril [German] [ACD/IUPAC Name]
2-{[(2H3)-2-Oxiranyl(2H2)methyl]oxy}benzonitrile [ACD/IUPAC Name]
2-{[(2H3)-2-Oxiranyl(2H2)méthyl]oxy}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[(oxiranyl-d3-methyl-d2)oxy]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 335.4±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 141.9±12.8 °C
Index of Refraction: 1.563
Molar Refractivity: 46.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.81
ACD/KOC (pH 5.5): 122.62
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 5.81
ACD/KOC (pH 7.4): 122.62
Polar Surface Area: 46 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 143.7±5.0 cm3

Click to predict properties on the Chemicalize site


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