ChemSpider 2D Image | 1-(4-Isopropylphenyl)-2-methyl(3,3-~2~H_2_)-2-propen-1-yl (~2~H)hydroperoxide | C13H15D3O2

1-(4-Isopropylphenyl)-2-methyl(3,3-2H2)-2-propen-1-yl (2H)hydroperoxide

  • Molecular FormulaC13H15D3O2
  • Average mass209.299 Da
  • Monoisotopic mass209.149506 Da
  • ChemSpider ID9980606

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H)Hydroperoxyde de 1-(4-isopropylphényl)-2-méthyl(3,3-2H2)-2-propén-1-yle [French] [ACD/IUPAC Name]
1-(4-Isopropylphenyl)-2-methyl(3,3-2H2)-2-propen-1-yl (2H)hydroperoxide [ACD/IUPAC Name]
1-(4-Isopropylphenyl)-2-methyl(3,3-2H2)-2-propen-1-yl(2H)hydroperoxid [German] [ACD/IUPAC Name]
Hydroperoxide-d, 2-methyl-1-[4-(1-methylethyl)phenyl]-2-propen-1-yl-3,3-d2 [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 320.5±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 147.6±24.8 °C
Index of Refraction: 1.518
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 687.51
ACD/KOC (pH 5.5): 3737.02
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 687.08
ACD/KOC (pH 7.4): 3734.70
Polar Surface Area: 29 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 204.8±3.0 cm3

Click to predict properties on the Chemicalize site


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