ChemSpider 2D Image | (~2~H_3_)Methyl oxo(phenyl)acetate | C9H5D3O3

(2H3)Methyl oxo(phenyl)acetate

  • Molecular FormulaC9H5D3O3
  • Average mass167.176 Da
  • Monoisotopic mass167.066177 Da
  • ChemSpider ID27472463

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl oxo(phenyl)acetate [ACD/IUPAC Name]
(2H3)Methyl-oxo(phenyl)acetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, α-oxo-, methyl-d3 ester [ACD/Index Name]
Oxo(phényl)acétate de (2H3)méthyle [French] [ACD/IUPAC Name]
134839-87-5 [RN]
Benzeneacetic acid, a-oxo-, methyl-d3 ester (9CI)

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

NSC 171206 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 247.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 103.8±15.9 °C
Index of Refraction: 1.518
Molar Refractivity: 42.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.07
ACD/KOC (pH 5.5): 141.12
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.07
ACD/KOC (pH 7.4): 141.12
Polar Surface Area: 43 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 141.0±3.0 cm3

Click to predict properties on the Chemicalize site


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