ChemSpider 2D Image | 2-(~2~H_3_)Methyl-3-(3-methyl-2-buten-1-yl)-1,4-(~2~H_4_)naphthalenedione | C16H9D7O2

2-(2H3)Methyl-3-(3-methyl-2-buten-1-yl)-1,4-(2H4)naphthalenedione

  • Molecular FormulaC16H9D7O2
  • Average mass247.340 Da
  • Monoisotopic mass247.158966 Da
  • ChemSpider ID103847114

  • Non-standard isotope - Non-standard isotope

More details:

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

1,4-Naphthalenedione-5,6,7,8-d4, 2-(methyl-d3)-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
2-(2H3)Méthyl-3-(3-méthyl-2-butén-1-yl)-1,4-(2H4)naphtalènedione [French] [ACD/IUPAC Name]
2-(2H3)Methyl-3-(3-methyl-2-buten-1-yl)-1,4-(2H4)naphthalenedione [ACD/IUPAC Name]
2-(2H3)Methyl-3-(3-methyl-2-buten-1-yl)-1,4-(2H4)naphthalindion [German] [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: 368.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 138.4±24.9 °C
Index of Refraction: 1.559
Molar Refractivity: 70.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 259.72
ACD/KOC (pH 5.5): 1861.71
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 259.72
ACD/KOC (pH 7.4): 1861.71
Polar Surface Area: 34 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 219.0±3.0 cm3

Click to predict properties on the Chemicalize site


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