ChemSpider 2D Image | 5-Hydroxy-2-(~2~H_3_)methyl-1,4-naphthoquinone | C11H5D3O3

5-Hydroxy-2-(2H3)methyl-1,4-naphthoquinone

  • Molecular FormulaC11H5D3O3
  • Average mass191.198 Da
  • Monoisotopic mass191.066177 Da
  • ChemSpider ID107434012
  • Non-standard isotope - Non-standard isotope


More details:






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

1,4-Naphthalenedione, 5-hydroxy-2-(methyl-d3)- [ACD/Index Name]
5-Hydroxy-2-(2H3)methyl-1,4-naphthochinon [German] [ACD/IUPAC Name]
5-Hydroxy-2-(2H3)methyl-1,4-naphthoquinone [ACD/IUPAC Name]
5-Hydroxy-2-(2H3)méthyl-1,4-naphtoquinone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 383.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 200.2±24.4 °C
Index of Refraction: 1.631
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 29.64
ACD/KOC (pH 5.5): 386.89
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 5.22
ACD/KOC (pH 7.4): 68.19
Polar Surface Area: 54 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 139.0±3.0 cm3

Click to predict properties on the Chemicalize site






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