Found 1 result

Search term: MF = 'C_{8}H_{5}D_{9}O_{3}'
ChemSpider 2D Image | Ethyl 3-(~2~H_3_)methyl-2-oxo(~2~H_6_)pentanoate | C8H5D9O3

Ethyl 3-(2H3)methyl-2-oxo(2H6)pentanoate

  • Molecular FormulaC8H5D9O3
  • Average mass167.250 Da
  • Monoisotopic mass167.150787 Da
  • ChemSpider ID107436724

  • Non-standard isotope - Non-standard isotope

More details:

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

3-(2H3)Méthyl-2-oxo(2H6)pentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(2H3)methyl-2-oxo(2H6)pentanoate [ACD/IUPAC Name]
Ethyl-3-(2H3)methyl-2-oxo(2H6)pentanoat [German] [ACD/IUPAC Name]
Pentanoic-3,4,4,5,5,5-d6 acid, 3-(methyl-d3)-2-oxo-, ethyl 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: 205.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.1±3.0 kJ/mol
Flash Point: 77.1±15.9 °C
Index of Refraction: 1.420
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.41
ACD/KOC (pH 5.5): 173.21
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.41
ACD/KOC (pH 7.4): 173.21
Polar Surface Area: 43 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 161.6±3.0 cm3

Click to predict properties on the Chemicalize site


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