ChemSpider 2D Image | 8-Oxo-8-[3-(trifluoromethyl)phenyl]octanoic acid | C15H17F3O3

8-Oxo-8-[3-(trifluoromethyl)phenyl]octanoic acid

  • Molecular FormulaC15H17F3O3
  • Average mass302.289 Da
  • Monoisotopic mass302.112976 Da
  • ChemSpider ID21401779

More details:

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

8-Oxo-8-[3-(trifluormethyl)phenyl]octansäure [German] [ACD/IUPAC Name]
8-Oxo-8-[3-(trifluoromethyl)phenyl]octanoic acid [ACD/IUPAC Name]
Acide 8-oxo-8-[3-(trifluorométhyl)phényl]octanoïque [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, η-oxo-3-(trifluoromethyl)- [ACD/Index Name]
898791-07-6 [RN]
8-oxo-8-(3-trifluoromethylphenyl)octanoic acid
97%
MFCD02260920 [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: 398.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 194.5±27.9 °C
Index of Refraction: 1.481
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 76.81
ACD/KOC (pH 5.5): 458.67
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 7.34
Polar Surface Area: 54 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 248.1±3.0 cm3

Click to predict properties on the Chemicalize site


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