ChemSpider 2D Image | 2-Phenyl(2,3-~2~H_2_)butanoic acid | C10H10D2O2

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

  • Molecular FormulaC10H10D2O2
  • Average mass166.213 Da
  • Monoisotopic mass166.096283 Da
  • ChemSpider ID57618285

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Phenyl(2,3-2H2)butanoic acid [ACD/IUPAC Name]
2-Phenyl(2,3-2H2)butansäure [German] [ACD/IUPAC Name]
Acide 2-phényl(2,3-2H2)butanoïque [French] [ACD/IUPAC Name]
Benzeneacetic-d acid, α-(ethyl-1-d)- [ACD/Index Name]
2,3-dideuterio-2-phenyl-butyric acid
70841-96-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 272.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 170.2±13.9 °C
Index of Refraction: 1.531
Molar Refractivity: 46.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 23.11
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 150.6±3.0 cm3

Click to predict properties on the Chemicalize site


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