ChemSpider 2D Image | 3-Fluoro-4-(4-fluorophenoxy)benzoic acid | C13H8F2O3

3-Fluoro-4-(4-fluorophenoxy)benzoic acid

  • Molecular FormulaC13H8F2O3
  • Average mass250.198 Da
  • Monoisotopic mass250.044144 Da
  • ChemSpider ID24063711

More details:






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

3-Fluor-4-(4-fluorphenoxy)benzoesäure [German] [ACD/IUPAC Name]
3-Fluoro-4-(4-fluorophenoxy)benzoic acid [ACD/IUPAC Name]
Acide 3-fluoro-4-(4-fluorophénoxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-4-(4-fluorophenoxy)- [ACD/Index Name]
918629-69-3 [RN]
MFCD11529210

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 338.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 158.6±27.9 °C
Index of Refraction: 1.573
Molar Refractivity: 59.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 5.09
ACD/KOC (pH 5.5): 40.70
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.51
Polar Surface Area: 47 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 181.0±3.0 cm3

Click to predict properties on the Chemicalize site






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