ChemSpider 2D Image | 4-(3-Fluoro-4-methoxyphenyl)butanoic acid | C11H13FO3

4-(3-Fluoro-4-methoxyphenyl)butanoic acid

  • Molecular FormulaC11H13FO3
  • Average mass212.217 Da
  • Monoisotopic mass212.084869 Da
  • ChemSpider ID24796472

More details:

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

331-42-0 [RN]
4-(3-Fluor-4-methoxyphenyl)butansäure [German] [ACD/IUPAC Name]
4-(3-Fluoro-4-methoxyphenyl)butanoic acid [ACD/IUPAC Name]
Acide 4-(3-fluoro-4-méthoxyphényl)butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 3-fluoro-4-methoxy- [ACD/Index Name]
4-(3-Fluoro-4-methoxy-phenyl)-butyric acid
MFCD06810339

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

Density: 1.2±0.1 g/cm3
Boiling Point: 337.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 158.0±23.7 °C
Index of Refraction: 1.510
Molar Refractivity: 53.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 7.06
ACD/KOC (pH 5.5): 81.44
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 47 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 178.1±3.0 cm3

Click to predict properties on the Chemicalize site


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