ChemSpider 2D Image | 1-(3,4-Dimethoxyphenyl)-2-(~2~H_5_)propanone | C11H9D5O3

1-(3,4-Dimethoxyphenyl)-2-(2H5)propanone

  • Molecular FormulaC11H9D5O3
  • Average mass199.258 Da
  • Monoisotopic mass199.125671 Da
  • ChemSpider ID9238582

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(3,4-Dimethoxyphenyl)-2-(2H5)propanon [German] [ACD/IUPAC Name]
1-(3,4-Dimethoxyphenyl)-2-(2H5)propanone [ACD/IUPAC Name]
1-(3,4-Diméthoxyphényl)-2-(2H5)propanone [French] [ACD/IUPAC Name]
2-Propanone-1,1,3,3,3-d5, 1-(3,4-dimethoxyphenyl)- [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: 281.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.1±3.0 kJ/mol
Flash Point: 115.0±9.6 °C
Index of Refraction: 1.497
Molar Refractivity: 53.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 5.99
ACD/KOC (pH 5.5): 125.31
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.99
ACD/KOC (pH 7.4): 125.31
Polar Surface Area: 36 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 183.9±3.0 cm3

Click to predict properties on the Chemicalize site


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