ChemSpider 2D Image | (~2~H_3_)Methyl 4-bromobenzoate | C8H4D3BrO2

(2H3)Methyl 4-bromobenzoate

  • Molecular FormulaC8H4D3BrO2
  • Average mass218.063 Da
  • Monoisotopic mass216.981766 Da
  • ChemSpider ID27460295

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl 4-bromobenzoate [ACD/IUPAC Name]
(2H3)Methyl-4-brombenzoat [German] [ACD/IUPAC Name]
4-Bromobenzoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-, methyl-d3 ester [ACD/Index Name]
Methyl-d3 bromophenyl-4-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 262.2±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.0±3.0 kJ/mol
Flash Point: 112.4±19.8 °C
Index of Refraction: 1.550
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.36
ACD/KOC (pH 5.5): 832.45
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.36
ACD/KOC (pH 7.4): 832.45
Polar Surface Area: 26 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 143.5±3.0 cm3

Click to predict properties on the Chemicalize site


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