ChemSpider 2D Image | 7-oxo-7-(2-trifluoromethylphenyl)heptanoic acid | C14H15F3O3

7-oxo-7-(2-trifluoromethylphenyl)heptanoic acid

  • Molecular FormulaC14H15F3O3
  • Average mass288.262 Da
  • Monoisotopic mass288.097321 Da
  • ChemSpider ID21401777

More details:

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

7-oxo-7-(2-trifluoromethylphenyl)heptanoic acid
7-Oxo-7-[2-(trifluormethyl)phenyl]heptansäure [German] [ACD/IUPAC Name]
7-Oxo-7-[2-(trifluoromethyl)phenyl]heptanoic acid [ACD/IUPAC Name]
898791-01-0 [RN]
Acide 7-oxo-7-[2-(trifluorométhyl)phényl]heptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, ζ-oxo-2-(trifluoromethyl)- [ACD/Index Name]
7-oxo-7-(2-trifluoromethylphenyl )heptanoic acid
97%
MFCD02260914 [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: 408.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 200.8±28.7 °C
Index of Refraction: 1.482
Molar Refractivity: 66.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 34.19
ACD/KOC (pH 5.5): 252.86
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.02
Polar Surface Area: 54 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 36.8±3.0 dyne/cm
Molar Volume: 231.6±3.0 cm3

Click to predict properties on the Chemicalize site


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