ChemSpider 2D Image | (1E,3S)-3,4-Dimethyl-1-phenyl(1-~2~H)-1-penten-3-yl hydroperoxide | C13H17DO2

(1E,3S)-3,4-Dimethyl-1-phenyl(1-2H)-1-penten-3-yl hydroperoxide

  • Molecular FormulaC13H17DO2
  • Average mass207.287 Da
  • Monoisotopic mass207.136963 Da
  • ChemSpider ID75552604

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1E,3S)-3,4-Dimethyl-1-phenyl(1-2H)-1-penten-3-yl hydroperoxide [ACD/IUPAC Name]
(1E,3S)-3,4-Dimethyl-1-phenyl(1-2H)-1-penten-3-ylhydroperoxid [German] [ACD/IUPAC Name]
Hydroperoxide, (1S,2E)-1-methyl-1-(1-methylethyl)-3-phenyl-2-propen-1-yl-3-d [ACD/Index Name]
Hydroperoxyde de (1E,3S)-3,4-diméthyl-1-phényl(1-2H)-1-pentén-3-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 343.1±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 161.3±24.8 °C
Index of Refraction: 1.549
Molar Refractivity: 63.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 483.25
ACD/KOC (pH 5.5): 2903.59
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 483.25
ACD/KOC (pH 7.4): 2903.57
Polar Surface Area: 29 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 200.7±3.0 cm3

Click to predict properties on the Chemicalize site


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