ChemSpider 2D Image | 1-[(2,6-~2~H_2_)Phenyl]ethanone | C8H6D2O

1-[(2,6-2H2)Phenyl]ethanone

  • Molecular FormulaC8H6D2O
  • Average mass122.161 Da
  • Monoisotopic mass122.070068 Da
  • ChemSpider ID21430296
  • Non-standard isotope - Non-standard isotope


More details:






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

1-[(2,6-2H2)Phenyl]ethanon [German] [ACD/IUPAC Name]
1-[(2,6-2H2)Phenyl]ethanone [ACD/IUPAC Name]
Ethanone, 1-(phenyl-2,6-d2)- [ACD/Index Name]

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

Density: 1.0±0.0 g/cm3
Boiling Point: 202.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.0 mmHg at 25°C
Enthalpy of Vaporization: 43.8±0.0 kJ/mol
Flash Point: 80.9±0.0 °C
Index of Refraction: 1.512
Molar Refractivity: 36.3±0.0 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.85
ACD/KOC (pH 5.5): 191.75
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.85
ACD/KOC (pH 7.4): 191.75
Polar Surface Area: 17 Å2
Polarizability: 14.4±0.0 10-24cm3
Surface Tension: 34.2±0.0 dyne/cm
Molar Volume: 121.0±0.0 cm3

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