ChemSpider 2D Image | Ethyl 3,3,3-trifluoro-2-(trifluoromethyl)alaninate | C6H7F6NO2

Ethyl 3,3,3-trifluoro-2-(trifluoromethyl)alaninate

  • Molecular FormulaC6H7F6NO2
  • Average mass239.116 Da
  • Monoisotopic mass239.038101 Da
  • ChemSpider ID74025588

More details:

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

3,3,3-Trifluoro-2-(trifluorométhyl)alaninate d'éthyle [French] [ACD/IUPAC Name]
Alanine, 3,3,3-trifluoro-2-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
Ethyl 3,3,3-trifluoro-2-(trifluoromethyl)alaninate [ACD/IUPAC Name]
Ethyl-3,3,3-trifluor-2-(trifluormethyl)alaninat [German] [ACD/IUPAC 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: 209.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.5±3.0 kJ/mol
Flash Point: 80.3±25.9 °C
Index of Refraction: 1.350
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.33
ACD/KOC (pH 5.5): 371.55
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.33
ACD/KOC (pH 7.4): 371.55
Polar Surface Area: 52 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 23.0±3.0 dyne/cm
Molar Volume: 167.6±3.0 cm3

Click to predict properties on the Chemicalize site


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