ChemSpider 2D Image | 2-Methyl-3-[4-(trifluoromethyl)benzyl]-1,4-naphthoquinone | C19H13F3O2

2-Methyl-3-[4-(trifluoromethyl)benzyl]-1,4-naphthoquinone

  • Molecular FormulaC19H13F3O2
  • Average mass330.301 Da
  • Monoisotopic mass330.086761 Da
  • ChemSpider ID34536205

More details:

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

1,4-Naphthalenedione, 2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
2-Methyl-3-[4-(trifluormethyl)benzyl]-1,4-naphthochinon [German] [ACD/IUPAC Name]
2-Methyl-3-[4-(trifluoromethyl)benzyl]-1,4-naphthoquinone [ACD/IUPAC Name]
2-Méthyl-3-[4-(trifluorométhyl)benzyl]-1,4-naphtoquinone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 432.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 155.9±25.5 °C
Index of Refraction: 1.567
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3176.76
ACD/KOC (pH 5.5): 11176.75
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3176.76
ACD/KOC (pH 7.4): 11176.75
Polar Surface Area: 34 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 250.3±3.0 cm3

Click to predict properties on the Chemicalize site


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