ChemSpider 2D Image | (~2~H_3_)Methyl benzoate | C8H5D3O2

(2H3)Methyl benzoate

  • Molecular FormulaC8H5D3O2
  • Average mass139.166 Da
  • Monoisotopic mass139.071259 Da
  • ChemSpider ID24604406
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H3)Methyl benzoate [ACD/IUPAC Name]
(2H3)Methyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Methan-d3-ol, benzoate [ACD/Index Name]
Methyl-d3 benzoate
trideuteromethyl benzoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 199.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 43.6±3.0 kJ/mol
Flash Point: 82.8±0.0 °C
Index of Refraction: 1.509
Molar Refractivity: 38.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.34
ACD/KOC (pH 5.5): 331.82
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.34
ACD/KOC (pH 7.4): 331.82
Polar Surface Area: 26 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 127.3±3.0 cm3

Click to predict properties on the Chemicalize site






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