ChemSpider 2D Image | Methyl 4-oxo(3,3,5,5,5-~2~H_5_)pentanoate | C6H5D5O3

Methyl 4-oxo(3,3,5,5,5-2H5)pentanoate

  • Molecular FormulaC6H5D5O3
  • Average mass135.173 Da
  • Monoisotopic mass135.094376 Da
  • ChemSpider ID9117710

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Oxo(3,3,5,5,5-2H5)pentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-oxo(3,3,5,5,5-2H5)pentanoate [ACD/IUPAC Name]
Methyl-4-oxo(3,3,5,5,5-2H5)pentanoat [German] [ACD/IUPAC Name]
Pentanoic-3,3,5,5,5-d5 acid, 4-oxo-, methyl ester [ACD/Index 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: 196.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 43.2±3.0 kJ/mol
Flash Point: 66.9±19.9 °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: -0.13
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.97
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.97
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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