ChemSpider 2D Image | (3E)-3-[(5-Oxo-2-phenyl-1-pyrazolidinyl)methylene]-1-phenyl-1,4-pentanedione | C21H20N2O3

(3E)-3-[(5-Oxo-2-phenyl-1-pyrazolidinyl)methylene]-1-phenyl-1,4-pentanedione

  • Molecular FormulaC21H20N2O3
  • Average mass348.395 Da
  • Monoisotopic mass348.147400 Da
  • ChemSpider ID30653463

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-[(5-Oxo-2-phenyl-1-pyrazolidinyl)methylen]-1-phenyl-1,4-pentandion [German] [ACD/IUPAC Name]
(3E)-3-[(5-Oxo-2-phenyl-1-pyrazolidinyl)methylene]-1-phenyl-1,4-pentanedione [ACD/IUPAC Name]
(3E)-3-[(5-Oxo-2-phényl-1-pyrazolidinyl)méthylène]-1-phényl-1,4-pentanedione [French] [ACD/IUPAC Name]
1,4-Pentanedione, 3-[(5-oxo-2-phenyl-1-pyrazolidinyl)methylene]-1-phenyl-, (3E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 549.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 248.7±25.2 °C
Index of Refraction: 1.653
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.76
ACD/KOC (pH 5.5): 485.86
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.76
ACD/KOC (pH 7.4): 485.86
Polar Surface Area: 58 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 273.3±3.0 cm3

Click to predict properties on the Chemicalize site


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