ChemSpider 2D Image | 7-(3,4-Difluorophenyl)-7-oxoheptanoic acid | C13H14F2O3

7-(3,4-Difluorophenyl)-7-oxoheptanoic acid

  • Molecular FormulaC13H14F2O3
  • Average mass256.245 Da
  • Monoisotopic mass256.091095 Da
  • ChemSpider ID21401663

More details:

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

7-(3,4-Difluorophenyl)-7-oxoheptanoic acid [ACD/IUPAC Name]
7-(3,4-Difluorphenyl)-7-oxoheptansäure [German] [ACD/IUPAC Name]
898765-79-2 [RN]
Acide 7-(3,4-difluorophényl)-7-oxoheptanoïque [French] [ACD/IUPAC Name]
Benzeneheptanoic acid, 3,4-difluoro-ζ-oxo- [ACD/Index Name]
MFCD01320072 [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: 415.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 205.2±25.9 °C
Index of Refraction: 1.502
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 5.37
ACD/KOC (pH 5.5): 67.13
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.07
Polar Surface Area: 54 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 206.5±3.0 cm3

Click to predict properties on the Chemicalize site


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