ChemSpider 2D Image | 2-(3-Fluoro-4-methylphenyl)-3-[2-(pentyloxy)phenyl]propanoic acid | C21H25FO3

2-(3-Fluoro-4-methylphenyl)-3-[2-(pentyloxy)phenyl]propanoic acid

  • Molecular FormulaC21H25FO3
  • Average mass344.420 Da
  • Monoisotopic mass344.178772 Da
  • ChemSpider ID44899563

More details:

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

2-(3-Fluor-4-methylphenyl)-3-[2-(pentyloxy)phenyl]propansäure [German] [ACD/IUPAC Name]
2-(3-Fluoro-4-methylphenyl)-3-[2-(pentyloxy)phenyl]propanoic acid [ACD/IUPAC Name]
Acide 2-(3-fluoro-4-méthylphényl)-3-[2-(pentyloxy)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-(3-fluoro-4-methylphenyl)-2-(pentyloxy)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 439.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 219.9±27.3 °C
Index of Refraction: 1.545
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 1002.57
ACD/KOC (pH 5.5): 1955.92
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 17.57
ACD/KOC (pH 7.4): 34.28
Polar Surface Area: 47 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 305.3±3.0 cm3

Click to predict properties on the Chemicalize site


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