ChemSpider 2D Image | 2,4-(3-~2~H_1_)Pentanedione | C5H7DO2

2,4-(3-2H1)Pentanedione

  • Molecular FormulaC5H7DO2
  • Average mass101.122 Da
  • Monoisotopic mass101.058708 Da
  • ChemSpider ID74798423

  • Non-standard isotope - Non-standard isotope

More details:

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

2,4-(3-2H1)Pentandion [German] [ACD/IUPAC Name]
2,4-(3-2H1)Pentanedione [ACD/IUPAC Name]
2,4-(3-2H1)Pentanedione [French] [ACD/IUPAC Name]
2,4-Pentanedione-3-d [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: 138.4±13.0 °C at 760 mmHg
Vapour Pressure: 6.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 34.3±0.0 kJ/mol
Flash Point: 43.1±16.8 °C
Index of Refraction: 1.395
Molar Refractivity: 25.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 55.35
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 53.83
Polar Surface Area: 34 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 27.5±3.0 dyne/cm
Molar Volume: 105.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement