ChemSpider 2D Image | 3-Phenyl(2,3-~2~H_2_)propanoic acid | C9H8D2O2

3-Phenyl(2,3-2H2)propanoic acid

  • Molecular FormulaC9H8D2O2
  • Average mass152.187 Da
  • Monoisotopic mass152.080627 Da
  • ChemSpider ID62784518
  • Non-standard isotope - Non-standard isotope


More details:






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

3-Phenyl(2,3-2H2)propanoic acid [ACD/IUPAC Name]
3-Phenyl(2,3-2H2)propansäure [German] [ACD/IUPAC Name]
Acide 3-phényl(2,3-2H2)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic-α,β-d2 acid [ACD/Index Name]
188528-54-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 280.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 170.0±13.9 °C
Index of Refraction: 1.542
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 35.85
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 133.4±3.0 cm3

Click to predict properties on the Chemicalize site






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