ChemSpider 2D Image | (3E)-3-[Ethoxy(hydroxy)methylene]-5,5,6,6,6-pentafluoro-2,4-hexanedione | C9H9F5O4

(3E)-3-[Ethoxy(hydroxy)methylene]-5,5,6,6,6-pentafluoro-2,4-hexanedione

  • Molecular FormulaC9H9F5O4
  • Average mass276.157 Da
  • Monoisotopic mass276.042114 Da
  • ChemSpider ID95556584

More details:

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

(3E)-3-[Ethoxy(hydroxy)methylen]-5,5,6,6,6-pentafluor-2,4-hexandion [German] [ACD/IUPAC Name]
(3E)-3-[Ethoxy(hydroxy)methylene]-5,5,6,6,6-pentafluoro-2,4-hexanedione [ACD/IUPAC Name]
(3E)-3-[Éthoxy(hydroxy)méthylène]-5,5,6,6,6-pentafluoro-2,4-hexanedione [French] [ACD/IUPAC Name]
2,4-Hexanedione, 3-(ethoxyhydroxymethylene)-5,5,6,6,6-pentafluoro-, (3E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 278.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.0±6.0 kJ/mol
Flash Point: 122.0±27.3 °C
Index of Refraction: 1.401
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 23.37
ACD/KOC (pH 5.5): 279.04
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.71
Polar Surface Area: 64 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 195.8±3.0 cm3

Click to predict properties on the Chemicalize site


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