ChemSpider 2D Image | 3-[2,6-Difluoro-4-(phenylethynyl)phenyl]propanoic acid | C17H12F2O2

3-[2,6-Difluoro-4-(phenylethynyl)phenyl]propanoic acid

  • Molecular FormulaC17H12F2O2
  • Average mass286.273 Da
  • Monoisotopic mass286.080536 Da
  • ChemSpider ID30825815

More details:

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

3-[2,6-Difluor-4-(phenylethinyl)phenyl]propansäure [German] [ACD/IUPAC Name]
3-[2,6-Difluoro-4-(phenylethynyl)phenyl]propanoic acid [ACD/IUPAC Name]
Acide 3-[2,6-difluoro-4-(phényléthynyl)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2,6-difluoro-4-(2-phenylethynyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 428.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 213.2±28.7 °C
Index of Refraction: 1.596
Molar Refractivity: 74.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 105.21
ACD/KOC (pH 5.5): 528.47
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 8.31
Polar Surface Area: 37 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 218.8±5.0 cm3

Click to predict properties on the Chemicalize site


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