ChemSpider 2D Image | 1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanyl 4-{[4-hydroxy-2-oxo(~2~H_4_)-2H-chromen-3-yl]methyl}benzoate | C21H10D4F6O5

1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanyl 4-{[4-hydroxy-2-oxo(2H4)-2H-chromen-3-yl]methyl}benzoate

  • Molecular FormulaC21H10D4F6O5
  • Average mass464.348 Da
  • Monoisotopic mass464.099640 Da
  • ChemSpider ID107433938

  • Non-standard isotope - Non-standard isotope

More details:

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

1,1,1,3,3,3-Hexafluor-2-methyl-2-propanyl-4-{[4-hydroxy-2-oxo(2H4)-2H-chromen-3-yl]methyl}benzoat [German] [ACD/IUPAC Name]
1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanyl 4-{[4-hydroxy-2-oxo(2H4)-2H-chromen-3-yl]methyl}benzoate [ACD/IUPAC Name]
4-{[4-Hydroxy-2-oxo(2H4)-2H-chromén-3-yl]méthyl}benzoate de 1,1,1,3,3,3-hexafluoro-2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl-5,6,7,8-d4)methyl]-, 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
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: 1.542
Molar Refractivity: 97.1±0.3 cm3
#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: 73 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 308.6±3.0 cm3

Click to predict properties on the Chemicalize site


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