ChemSpider 2D Image | 2,3-Dimethyl-5-(~2~H_3_)methyl-6-[2-(2-methyl-5-oxotetrahydro-2-furanyl)ethyl]-1,4-benzoquinone | C16H17D3O4

2,3-Dimethyl-5-(2H3)methyl-6-[2-(2-methyl-5-oxotetrahydro-2-furanyl)ethyl]-1,4-benzoquinone

  • Molecular FormulaC16H17D3O4
  • Average mass279.346 Da
  • Monoisotopic mass279.154999 Da
  • ChemSpider ID9498400

  • Non-standard isotope - Non-standard isotope

More details:

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

2,3-Dimethyl-5-(2H3)methyl-6-[2-(2-methyl-5-oxotetrahydro-2-furanyl)ethyl]-1,4-benzochinon [German] [ACD/IUPAC Name]
2,3-Dimethyl-5-(2H3)methyl-6-[2-(2-methyl-5-oxotetrahydro-2-furanyl)ethyl]-1,4-benzoquinone [ACD/IUPAC Name]
2,3-Diméthyl-5-(2H3)méthyl-6-[2-(2-méthyl-5-oxotétrahydro-2-furanyl)éthyl]-1,4-benzoquinone [French] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1,4-dione, 2,3-dimethyl-5-(methyl-d3)-6-[2-(tetrahydro-2-methyl-5-oxo-2-furanyl)ethyl]- [ACD/Index 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: 423.1±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 187.1±20.2 °C
Index of Refraction: 1.508
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.30
ACD/KOC (pH 5.5): 499.27
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.30
ACD/KOC (pH 7.4): 499.27
Polar Surface Area: 60 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 246.3±3.0 cm3

Click to predict properties on the Chemicalize site


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