ChemSpider 2D Image | ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate | C16H16F6O3

ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate

  • Molecular FormulaC16H16F6O3
  • Average mass370.287 Da
  • Monoisotopic mass370.100372 Da
  • ChemSpider ID21402061

More details:

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

6-[3,5-Bis(trifluorométhyl)phényl]-6-oxohexanoate d'éthyle [French] [ACD/IUPAC Name]
898792-97-7 [RN]
Benzenehexanoic acid, ε-oxo-3,5-bis(trifluoromethyl)-, ethyl ester [ACD/Index Name]
ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate
Ethyl 6-[3,5-bis(trifluoromethyl)phenyl]-6-oxohexanoate [ACD/IUPAC Name]
Ethyl-6-[3,5-bis(trifluormethyl)phenyl]-6-oxohexanoat [German] [ACD/IUPAC Name]
97%
MFCD01311607 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 320.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 142.8±22.8 °C
Index of Refraction: 1.435
Molar Refractivity: 75.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2348.37
ACD/KOC (pH 5.5): 9003.07
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2348.37
ACD/KOC (pH 7.4): 9003.07
Polar Surface Area: 43 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 28.3±3.0 dyne/cm
Molar Volume: 290.5±3.0 cm3

Click to predict properties on the Chemicalize site


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