ChemSpider 2D Image | 1-[3,4,5-Trimethoxy(2-~2~H)phenyl]ethanone | C11H13DO4

1-[3,4,5-Trimethoxy(2-2H)phenyl]ethanone

  • Molecular FormulaC11H13DO4
  • Average mass211.233 Da
  • Monoisotopic mass211.095490 Da
  • ChemSpider ID74084107

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[3,4,5-Trimethoxy(2-2H)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[3,4,5-Trimethoxy(2-2H)phenyl]ethanone [ACD/IUPAC Name]
1-[3,4,5-Triméthoxy(2-2H)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-(3,4,5-trimethoxyphenyl-2-d)- [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: 318.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 132.8±26.5 °C
Index of Refraction: 1.495
Molar Refractivity: 56.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.70
ACD/KOC (pH 5.5): 163.73
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.70
ACD/KOC (pH 7.4): 163.73
Polar Surface Area: 45 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 193.0±3.0 cm3

Click to predict properties on the Chemicalize site


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