ChemSpider 2D Image | 2-(~2~H_3_)Methylbenzonitrile | C8H4D3N

2-(2H3)Methylbenzonitrile

  • Molecular FormulaC8H4D3N
  • Average mass120.166 Da
  • Monoisotopic mass120.076675 Da
  • ChemSpider ID111328622
  • Non-standard isotope - Non-standard isotope


More details:






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

2-(2H3)Methylbenzonitril [German] [ACD/IUPAC Name]
2-(2H3)Methylbenzonitrile [ACD/IUPAC Name]
2-(2H3)Méthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(methyl-d3)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 206.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.2±3.0 kJ/mol
Flash Point: 78.0±11.2 °C
Index of Refraction: 1.531
Molar Refractivity: 35.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.48
ACD/KOC (pH 5.5): 411.10
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.48
ACD/KOC (pH 7.4): 411.10
Polar Surface Area: 24 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 116.1±5.0 cm3

Click to predict properties on the Chemicalize site






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