ChemSpider 2D Image | 2-Methyl-3-(~2~H_3_)methyl-1,4-naphthoquinone | C12H7D3O2

2-Methyl-3-(2H3)methyl-1,4-naphthoquinone

  • Molecular FormulaC12H7D3O2
  • Average mass189.225 Da
  • Monoisotopic mass189.086914 Da
  • ChemSpider ID9129540

  • Non-standard isotope - Non-standard isotope

More details:

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

1,4-Naphthalenedione, 2-methyl-3-(methyl-d3)- [ACD/Index Name]
2-Methyl-3-(2H3)methyl-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-Methyl-3-(2H3)methyl-1,4-naphthoquinone [ACD/IUPAC Name]
2-Méthyl-3-(2H3)méthyl-1,4-naphtoquinone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 312.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 116.9±24.9 °C
Index of Refraction: 1.574
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.19
ACD/KOC (pH 5.5): 360.31
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.19
ACD/KOC (pH 7.4): 360.31
Polar Surface Area: 34 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 158.5±3.0 cm3

Click to predict properties on the Chemicalize site


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