ChemSpider 2D Image | 5,8-Dimethoxy-2-[4-methyl-1-(pentylsulfanyl)-3-penten-1-yl]-1,4-naphthoquinone | C23H30O4S

5,8-Dimethoxy-2-[4-methyl-1-(pentylsulfanyl)-3-penten-1-yl]-1,4-naphthoquinone

  • Molecular FormulaC23H30O4S
  • Average mass402.547 Da
  • Monoisotopic mass402.186493 Da
  • ChemSpider ID24702768

More details:

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

1,4-Naphthalenedione, 5,8-dimethoxy-2-[4-methyl-1-(pentylthio)-3-penten-1-yl]- [ACD/Index Name]
5,8-Dimethoxy-2-[4-methyl-1-(pentylsulfanyl)-3-penten-1-yl]-1,4-naphthochinon [German] [ACD/IUPAC Name]
5,8-Dimethoxy-2-[4-methyl-1-(pentylsulfanyl)-3-penten-1-yl]-1,4-naphthoquinone [ACD/IUPAC Name]
5,8-Diméthoxy-2-[4-méthyl-1-(pentylsulfanyl)-3-pentén-1-yl]-1,4-naphtoquinone [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 559.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 275.9±18.1 °C
Index of Refraction: 1.552
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28541.78
ACD/KOC (pH 5.5): 53804.46
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28541.78
ACD/KOC (pH 7.4): 53804.46
Polar Surface Area: 78 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 360.1±3.0 cm3

Click to predict properties on the Chemicalize site


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