ChemSpider 2D Image | Ethyl (2,6-~2~H_2_)benzoate | C9H8D2O2

Ethyl (2,6-2H2)benzoate

  • Molecular FormulaC9H8D2O2
  • Average mass152.187 Da
  • Monoisotopic mass152.080627 Da
  • ChemSpider ID74801810

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,6-2H2)Benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic-2,6-d2 acid, ethyl ester [ACD/Index Name]
Ethyl (2,6-2H2)benzoate [ACD/IUPAC Name]
Ethyl-(2,6-2H2)benzoat [German] [ACD/IUPAC Name]

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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