ChemSpider 2D Image | 2,2'-{[4-(Difluoromethoxy)-3,5-dimethoxyphenyl]methylene}bis(5,5-dimethyl-1,3-cyclohexanedione) | C26H32F2O7

2,2'-{[4-(Difluoromethoxy)-3,5-dimethoxyphenyl]methylene}bis(5,5-dimethyl-1,3-cyclohexanedione)

  • Molecular FormulaC26H32F2O7
  • Average mass494.525 Da
  • Monoisotopic mass494.211609 Da
  • ChemSpider ID21766373

More details:






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

1,3-Cyclohexanedione, 2,2'-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylene]bis[5,5-dimethyl- [ACD/Index Name]
2,2'-{[4-(Difluormethoxy)-3,5-dimethoxyphenyl]methylen}bis(5,5-dimethyl-1,3-cyclohexandion) [German] [ACD/IUPAC Name]
2,2'-{[4-(Difluoromethoxy)-3,5-dimethoxyphenyl]methylene}bis(5,5-dimethyl-1,3-cyclohexanedione) [ACD/IUPAC Name]
2,2'-{[4-(Difluorométhoxy)-3,5-diméthoxyphényl]méthylène}bis(5,5-diméthyl-1,3-cyclohexanedione) [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 307.5±26.4 °C
Index of Refraction: 1.506
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 4.67
ACD/KOC (pH 5.5): 45.61
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 410.6±3.0 cm3

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