ChemSpider 2D Image | 3-(~2~H_3_)Ethanoylbenzoic acid | C9H5D3O3

3-(2H3)Ethanoylbenzoic acid

  • Molecular FormulaC9H5D3O3
  • Average mass167.176 Da
  • Monoisotopic mass167.066177 Da
  • ChemSpider ID111331796

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(2H3)Ethanoylbenzoesäure [German] [ACD/IUPAC Name]
3-(2H3)Ethanoylbenzoic acid [ACD/IUPAC Name]
Acide 3-(2H3)éthanoylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(1-oxoethyl-2,2,2-d3)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 342.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.9±3.0 kJ/mol
Flash Point: 175.3±19.7 °C
Index of Refraction: 1.561
Molar Refractivity: 43.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.07
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 133.5±3.0 cm3

Click to predict properties on the Chemicalize site


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