ChemSpider 2D Image | 3-[(~2~H_5_)Phenyloxy]propanoic acid | C9H5D5O3

3-[(2H5)Phenyloxy]propanoic acid

  • Molecular FormulaC9H5D5O3
  • Average mass171.205 Da
  • Monoisotopic mass171.094376 Da
  • ChemSpider ID60597134
  • Non-standard isotope - Non-standard isotope


More details:






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

3-[(2H5)Phenyloxy]propanoic acid [ACD/IUPAC Name]
3-[(2H5)Phenyloxy]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(2H5)phényloxy]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-(phenyl-d5-oxy)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 245.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 107.5±13.3 °C
Index of Refraction: 1.533
Molar Refractivity: 43.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.27
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 141.1±3.0 cm3

Click to predict properties on the Chemicalize site






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