ChemSpider 2D Image | Ethyl (3,3,3-~2~H_3_)propanoate | C5H7D3O2

Ethyl (3,3,3-2H3)propanoate

  • Molecular FormulaC5H7D3O2
  • Average mass105.150 Da
  • Monoisotopic mass105.086906 Da
  • ChemSpider ID107437609

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,3,3-2H3)Propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (3,3,3-2H3)propanoate [ACD/IUPAC Name]
Ethyl-(3,3,3-2H3)propanoat [German] [ACD/IUPAC Name]
Propanoic-3,3,3-d3 acid, ethyl ester [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 95.9±3.0 °C at 760 mmHg
Vapour Pressure: 44.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.6±3.0 kJ/mol
Flash Point: 12.2±0.0 °C
Index of Refraction: 1.387
Molar Refractivity: 27.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.59
ACD/KOC (pH 5.5): 134.28
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.59
ACD/KOC (pH 7.4): 134.28
Polar Surface Area: 26 Å2
Polarizability: 10.7±0.5 10-24cm3
Surface Tension: 24.9±3.0 dyne/cm
Molar Volume: 114.6±3.0 cm3

Click to predict properties on the Chemicalize site


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