ChemSpider 2D Image | 2-(Butylsulfonyl)-5,8-dimethoxy-1,4-naphthoquinone | C16H18O6S

2-(Butylsulfonyl)-5,8-dimethoxy-1,4-naphthoquinone

  • Molecular FormulaC16H18O6S
  • Average mass338.375 Da
  • Monoisotopic mass338.082397 Da
  • ChemSpider ID29416131

More details:






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

1,4-Naphthalenedione, 2-(butylsulfonyl)-5,8-dimethoxy- [ACD/Index Name]
2-(Butylsulfonyl)-5,8-dimethoxy-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-(Butylsulfonyl)-5,8-dimethoxy-1,4-naphthoquinone [ACD/IUPAC Name]
2-(Butylsulfonyl)-5,8-diméthoxy-1,4-naphtoquinone [French] [ACD/IUPAC Name]
10.1016/j.ejmech.2013.01.020

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

Density: 1.3±0.1 g/cm3
Boiling Point: 601.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.7±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 83.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.67
ACD/KOC (pH 5.5): 226.27
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.67
ACD/KOC (pH 7.4): 226.27
Polar Surface Area: 95 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 252.9±5.0 cm3

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