ChemSpider 2D Image | 1-(3-Oxo-1-pyrrolidinyl)-1,4-pentanedione | C9H13NO3

1-(3-Oxo-1-pyrrolidinyl)-1,4-pentanedione

  • Molecular FormulaC9H13NO3
  • Average mass183.204 Da
  • Monoisotopic mass183.089539 Da
  • ChemSpider ID30774003

More details:






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

1-(3-Oxo-1-pyrrolidinyl)-1,4-pentandion [German] [ACD/IUPAC Name]
1-(3-Oxo-1-pyrrolidinyl)-1,4-pentanedione [ACD/IUPAC Name]
1-(3-Oxo-1-pyrrolidinyl)-1,4-pentanedione [French] [ACD/IUPAC Name]
1,4-Pentanedione, 1-(3-oxo-1-pyrrolidinyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 344.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 160.9±17.5 °C
Index of Refraction: 1.499
Molar Refractivity: 45.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.88
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.88
Polar Surface Area: 54 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 154.2±3.0 cm3

Click to predict properties on the Chemicalize site






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