ChemSpider 2D Image | Ethyl 3-oxo(4,4,4-~2~H_3_)butanoate | C6H7D3O3

Ethyl 3-oxo(4,4,4-2H3)butanoate

  • Molecular FormulaC6H7D3O3
  • Average mass133.160 Da
  • Monoisotopic mass133.081818 Da
  • ChemSpider ID115275891

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Oxo(4,4,4-2H3)butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic-4,4,4-d3 acid, 3-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-oxo(4,4,4-2H3)butanoate [ACD/IUPAC Name]
Ethyl-3-oxo(4,4,4-2H3)butanoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 180.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.7±3.0 kJ/mol
Flash Point: 67.0±18.5 °C
Index of Refraction: 1.408
Molar Refractivity: 31.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 38.59
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 38.57
Polar Surface Area: 43 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 30.3±3.0 dyne/cm
Molar Volume: 128.2±3.0 cm3

Click to predict properties on the Chemicalize site


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