ChemSpider 2D Image | Diethyl [4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-2-butanyl]phosphonate | C9H15F6O4P

Diethyl [4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-2-butanyl]phosphonate

  • Molecular FormulaC9H15F6O4P
  • Average mass332.177 Da
  • Monoisotopic mass332.061218 Da
  • ChemSpider ID74067006

More details:

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

[4,4,4-Trifluoro-3-hydroxy-3-(trifluorométhyl)-2-butanyl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-2-butanyl]phosphonate [ACD/IUPAC Name]
Diethyl-[4,4,4-trifluor-3-hydroxy-3-(trifluormethyl)-2-butanyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(trifluoromethyl)propyl]-, diethyl ester [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: 311.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.1±6.0 kJ/mol
Flash Point: 142.4±27.9 °C
Index of Refraction: 1.379
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.23
ACD/KOC (pH 5.5): 948.36
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 98.68
ACD/KOC (pH 7.4): 924.42
Polar Surface Area: 66 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 244.7±3.0 cm3

Click to predict properties on the Chemicalize site


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