ChemSpider 2D Image | METHYL-D3 3-OXOBUTANOATE | C5H5D3O3

METHYL-D3 3-OXOBUTANOATE

  • Molecular FormulaC5H5D3O3
  • Average mass119.134 Da
  • Monoisotopic mass119.066177 Da
  • ChemSpider ID23936663

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl 3-oxobutanoate [ACD/IUPAC Name]
(2H3)Methyl-3-oxobutanoat [German] [ACD/IUPAC Name]
107694-22-4 [RN]
3-Oxobutanoate de (2H3)méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-oxo-, methyl-d3 ester [ACD/Index Name]
METHYL-D3 3-OXOBUTANOATE
55854-24-5 [RN]
Methyl-d33-Oxobutanoate
trideuteriomethyl 3-oxobutanoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 169.4±8.0 °C at 760 mmHg
Vapour Pressure: 1.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.6±3.0 kJ/mol
Flash Point: 61.6±18.5 °C
Index of Refraction: 1.399
Molar Refractivity: 27.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.22
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.20
Polar Surface Area: 43 Å2
Polarizability: 10.7±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 111.7±3.0 cm3

Click to predict properties on the Chemicalize site


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