ChemSpider 2D Image | 4-Oxo(3,3,5,5,5-~2~H_5_)pentanoic acid | C5H3D5O3

4-Oxo(3,3,5,5,5-2H5)pentanoic acid

  • Molecular FormulaC5H3D5O3
  • Average mass121.146 Da
  • Monoisotopic mass121.078728 Da
  • ChemSpider ID30773466

  • 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)pentanoic acid [ACD/IUPAC Name]
4-Oxo(3,3,5,5,5-2H5)pentansäure [German] [ACD/IUPAC Name]
Acide 4-oxo(3,3,5,5,5-2H5)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic-3,3,5,5,5-d5 acid, 4-oxo- [ACD/Index Name]
1206185-52-5 [RN]
4-ketovaleric acid
4-Oxopentanoic acid [ACD/IUPAC Name]
Levulinic-3,3,5,5,5-d5 Acid
β-acetylpropionic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 242.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 52.8±6.0 kJ/mol
Flash Point: 137.8±0.0 °C
Index of Refraction: 1.435
Molar Refractivity: 26.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.52
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 102.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement