ChemSpider 2D Image | Ethyl 6-oxo-6-[3-(trifluoromethyl)phenyl]hexanoate | C15H17F3O3

Ethyl 6-oxo-6-[3-(trifluoromethyl)phenyl]hexanoate

  • Molecular FormulaC15H17F3O3
  • Average mass302.289 Da
  • Monoisotopic mass302.112976 Da
  • ChemSpider ID21402286

More details:

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

6-Oxo-6-[3-(trifluorométhyl)phényl]hexanoate d'éthyle [French] [ACD/IUPAC Name]
898777-77-0 [RN]
Benzenehexanoic acid, ε-oxo-3-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
Ethyl 6-oxo-6-[3-(trifluoromethyl)phenyl]hexanoate [ACD/IUPAC Name]
Ethyl-6-oxo-6-[3-(trifluormethyl)phenyl]hexanoat [German] [ACD/IUPAC Name]
97%
Ethyl 6-oxo-6-(3-trifluoromethylphenyl)hexanoate
ETHYL6-OXO-6-(3-TRIFLUOROMETHYLPHENYL)HEXANOATE
MFCD02261346 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 337.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 152.5±22.8 °C
Index of Refraction: 1.463
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 749.12
ACD/KOC (pH 5.5): 3973.79
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 749.12
ACD/KOC (pH 7.4): 3973.79
Polar Surface Area: 43 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 257.0±3.0 cm3

Click to predict properties on the Chemicalize site


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