ChemSpider 2D Image | 2-(4-Fluorophenyl)-3-[2-(hexyloxy)phenyl]propanoic acid | C21H25FO3

2-(4-Fluorophenyl)-3-[2-(hexyloxy)phenyl]propanoic acid

  • Molecular FormulaC21H25FO3
  • Average mass344.420 Da
  • Monoisotopic mass344.178772 Da
  • ChemSpider ID44895576

More details:

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

2-(4-Fluorophenyl)-3-[2-(hexyloxy)phenyl]propanoic acid [ACD/IUPAC Name]
2-(4-Fluorphenyl)-3-[2-(hexyloxy)phenyl]propansäure [German] [ACD/IUPAC Name]
Acide 2-(4-fluorophényl)-3-[2-(hexyloxy)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-(4-fluorophenyl)-2-(hexyloxy)- [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: 439.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 219.6±25.9 °C
Index of Refraction: 1.543
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 1689.76
ACD/KOC (pH 5.5): 3051.02
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 28.22
ACD/KOC (pH 7.4): 50.96
Polar Surface Area: 47 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 305.6±3.0 cm3

Click to predict properties on the Chemicalize site


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