ChemSpider 2D Image | 4-(~2~H_3_)Ethanoylbenzonitrile | C9H4D3NO

4-(2H3)Ethanoylbenzonitrile

  • Molecular FormulaC9H4D3NO
  • Average mass148.176 Da
  • Monoisotopic mass148.071594 Da
  • ChemSpider ID111328611

  • Non-standard isotope - Non-standard isotope

More details:

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

4-(2H3)Ethanoylbenzonitril [German] [ACD/IUPAC Name]
4-(2H3)Ethanoylbenzonitrile [ACD/IUPAC Name]
4-(2H3)Éthanoylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(1-oxoethyl-2,2,2-d3)- [ACD/Index 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: 293.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 131.2±22.6 °C
Index of Refraction: 1.539
Molar Refractivity: 40.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.35
ACD/KOC (pH 5.5): 130.70
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.35
ACD/KOC (pH 7.4): 130.70
Polar Surface Area: 41 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 129.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement