ChemSpider 2D Image | CSID:8255999 | C9H7D3O

  • Molecular FormulaC9H7D3O
  • Average mass137.194 Da
  • Monoisotopic mass137.091995 Da
  • ChemSpider ID8255999

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[2-(2H3)Methylphenyl]ethanon [German] [ACD/IUPAC Name]
1-[2-(2H3)Méthylphényl]éthanone [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 214.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 75.6±0.0 °C
Index of Refraction: 1.511
Molar Refractivity: 41.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.47
ACD/KOC (pH 5.5): 312.58
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.47
ACD/KOC (pH 7.4): 312.58
Polar Surface Area: 17 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 137.2±3.0 cm3

Click to predict properties on the Chemicalize site


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