ChemSpider 2D Image | Phenyl (~2~H_3_)acetate | C8H5D3O2

Phenyl (2H3)acetate

  • Molecular FormulaC8H5D3O2
  • Average mass139.166 Da
  • Monoisotopic mass139.071259 Da
  • ChemSpider ID103873720
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H3)Acétate de phényle [French] [ACD/IUPAC Name]
22705-27-7 [RN]
Acetic-d3 acid, phenyl ester [ACD/Index Name]
Phenyl (2H3)acetate [ACD/IUPAC Name]
Phenyl acetate-2,2,2-d3
Phenyl-(2H3)acetat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 195.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 43.2±3.0 kJ/mol
Flash Point: 76.7±0.0 °C
Index of Refraction: 1.504
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.45
ACD/KOC (pH 5.5): 186.65
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 10.45
ACD/KOC (pH 7.4): 186.65
Polar Surface Area: 26 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 127.1±3.0 cm3

Click to predict properties on the Chemicalize site






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