ChemSpider 2D Image | Ethyl (~2~H_5_)benzoate | C9H5D5O2

Ethyl (2H5)benzoate

  • Molecular FormulaC9H5D5O2
  • Average mass155.205 Da
  • Monoisotopic mass155.099457 Da
  • ChemSpider ID48059134
  • Non-standard isotope - Non-standard isotope


More details:






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

(2H5)Benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic-d5 acid, ethyl ester [ACD/Index Name]
Ethyl (2H5)benzoate [ACD/IUPAC Name]
Ethyl-(2H5)benzoat [German] [ACD/IUPAC Name]
54354-03-9 [RN]
Benzoic Acid-d5 Ethyl Ester
ethyl 2,3,4,5,6-pentadeuteriobenzoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 211.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.8±3.0 kJ/mol
Flash Point: 84.4±0.0 °C
Index of Refraction: 1.505
Molar Refractivity: 42.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.46
ACD/KOC (pH 5.5): 632.33
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.46
ACD/KOC (pH 7.4): 632.33
Polar Surface Area: 26 Å2
Polarizability: 16.9±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 143.8±3.0 cm3

Click to predict properties on the Chemicalize site






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