ChemSpider 2D Image | 2-Methyl-6-phenyl(1,1-~2~H_2_)-1-hexen-3-yl (~2~H)hydroperoxide | C13H15D3O2

2-Methyl-6-phenyl(1,1-2H2)-1-hexen-3-yl (2H)hydroperoxide

  • Molecular FormulaC13H15D3O2
  • Average mass209.299 Da
  • Monoisotopic mass209.149506 Da
  • ChemSpider ID9980605

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H)Hydroperoxyde de 2-méthyl-6-phényl(1,1-2H2)-1-hexén-3-yle [French] [ACD/IUPAC Name]
2-Methyl-6-phenyl(1,1-2H2)-1-hexen-3-yl (2H)hydroperoxide [ACD/IUPAC Name]
2-Methyl-6-phenyl(1,1-2H2)-1-hexen-3-yl(2H)hydroperoxid [German] [ACD/IUPAC Name]
Hydroperoxide-d, 1-(1-methylethenyl-2,2-d2)-4-phenylbutyl [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 352.5±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 167.0±27.6 °C
Index of Refraction: 1.518
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 675.64
ACD/KOC (pH 5.5): 3690.73
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 675.54
ACD/KOC (pH 7.4): 3690.19
Polar Surface Area: 29 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 203.9±3.0 cm3

Click to predict properties on the Chemicalize site


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