ChemSpider 2D Image | 1-{2,4-Bis[(~2~H_3_)methyloxy]phenyl}ethanone | C10H6D6O3

1-{2,4-Bis[(2H3)methyloxy]phenyl}ethanone

  • Molecular FormulaC10H6D6O3
  • Average mass186.238 Da
  • Monoisotopic mass186.116302 Da
  • ChemSpider ID107435756

  • Non-standard isotope - Non-standard isotope

More details:

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

1-{2,4-Bis[(2H3)methyloxy]phenyl}ethanon [German] [ACD/IUPAC Name]
1-{2,4-Bis[(2H3)methyloxy]phenyl}ethanone [ACD/IUPAC Name]
1-{2,4-Bis[(2H3)méthyloxy]phényl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2,4-bis(methyl-d3-oxy)phenyl]- [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: 288.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 127.1±8.8 °C
Index of Refraction: 1.499
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.90
ACD/KOC (pH 5.5): 285.32
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.90
ACD/KOC (pH 7.4): 285.32
Polar Surface Area: 36 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 169.0±3.0 cm3

Click to predict properties on the Chemicalize site


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