ChemSpider 2D Image | Flavesone | C14H20O4

Flavesone

  • Molecular FormulaC14H20O4
  • Average mass252.306 Da
  • Monoisotopic mass252.136154 Da
  • ChemSpider ID30772397

More details:






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

1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methyl-1-oxopropyl)- [ACD/Index Name]
22595-45-5 [RN]
6-Isobutyryl-2,2,4,4-tetramethyl-1,3,5-cyclohexanetrione [ACD/IUPAC Name]
6-Isobutyryl-2,2,4,4-tétraméthyl-1,3,5-cyclohexanetrione [French] [ACD/IUPAC Name]
6-Isobutyryl-2,2,4,4-tetramethyl-1,3,5-cyclohexantrion [German] [ACD/IUPAC Name]
9X167ZSG8Z
Flavesone
2,2,4,4-TETRAMETHYL-6-(2-METHYL-1-OXOPROPYL)-1,3,5-CYCLOHEXANETRIONE
UNII:9X167ZSG8Z
UNII-9X167ZSG8Z

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.9±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 165.3±10.7 °C
Index of Refraction: 1.461
Molar Refractivity: 65.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 7.10
ACD/KOC (pH 5.5): 104.36
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.92
Polar Surface Area: 68 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 237.4±3.0 cm3

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