ChemSpider 2D Image | 2-Oxo(4-~13~C,~2~H_5_)butanoic acid | C313CHD5O3

2-Oxo(4-13C,2H5)butanoic acid

  • Molecular FormulaC313CHD5O3
  • Average mass108.112 Da
  • Monoisotopic mass108.066437 Da
  • ChemSpider ID48060944
  • Non-standard isotope - Non-standard isotope

More details:

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

2-Oxo(4-13C,2H5)butanoic acid [ACD/IUPAC Name]
2-Oxo(4-13C,2H5)butansäure [German] [ACD/IUPAC Name]
Acide 2-oxo(4-13C,2H5)butanoïque [French] [ACD/IUPAC Name]
Butanoic-4-13C-3,3,4,4,4-d5 acid, 2-oxo- [ACD/Index Name]
1286996-74-4 [RN]
3,3,4,4,4-pentadeuterio-2-oxobutanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.427
Molar Refractivity: 22.2±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 8.8±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 86.3±3.0 cm3

Click to predict properties on the Chemicalize site