ChemSpider 2D Image | 3-Phenyl(3,3-~2~H_2_)propyl acetate | C11H12D2O2

3-Phenyl(3,3-2H2)propyl acetate

  • Molecular FormulaC11H12D2O2
  • Average mass180.240 Da
  • Monoisotopic mass180.111938 Da
  • ChemSpider ID65326088

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Phenyl(3,3-2H2)propyl acetate [ACD/IUPAC Name]
3-Phenyl(3,3-2H2)propyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-phényl(3,3-2H2)propyle [French] [ACD/IUPAC Name]
Benzenepropan-γ,γ-d2-ol, acetate [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 262.9±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.1±3.0 kJ/mol
Flash Point: 114.9±19.9 °C
Index of Refraction: 1.499
Molar Refractivity: 51.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.47
ACD/KOC (pH 5.5): 768.68
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.47
ACD/KOC (pH 7.4): 768.68
Polar Surface Area: 26 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 175.3±3.0 cm3

Click to predict properties on the Chemicalize site


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