ChemSpider 2D Image | 3-(4-{[(1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanyl)oxy]carbonyl}benzyl)-2-oxo-2H-chromen-4-olate | C21H13F6O5

3-(4-{[(1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanyl)oxy]carbonyl}benzyl)-2-oxo-2H-chromen-4-olate

  • Molecular FormulaC21H13F6O5
  • Average mass459.316 Da
  • Monoisotopic mass459.067261 Da
  • ChemSpider ID95746149

  • Charge - Charge

More details:

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

3-(4-{[(1,1,1,3,3,3-Hexafluor-2-methyl-2-propanyl)oxy]carbonyl}benzyl)-2-oxo-2H-chromen-4-olat [German] [ACD/IUPAC Name]
3-(4-{[(1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanyl)oxy]carbonyl}benzyl)-2-oxo-2H-chromen-4-olate [ACD/IUPAC Name]
3-(4-{[(1,1,1,3,3,3-Hexafluoro-2-méthyl-2-propanyl)oxy]carbonyl}benzyl)-2-oxo-2H-chromén-4-olate [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-, 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl ester, ion(1-) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 498.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.5±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 977.86
ACD/KOC (pH 5.5): 2434.76
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 16.87
ACD/KOC (pH 7.4): 42.00
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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