ChemSpider 2D Image | 5-Heptadecyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one | C26H42N2O

5-Heptadecyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC26H42N2O
  • Average mass398.625 Da
  • Monoisotopic mass398.329712 Da
  • ChemSpider ID24761865

More details:

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

3H-Pyrazol-3-one, 5-heptadecyl-2,4-dihydro-2-phenyl- [ACD/Index Name]
5-Heptadecyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
5-Heptadecyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
5-Heptadécyl-2-phényl-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3-heptadecyl-1-phenyl-2-pyrazolin-5-one

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

Density: 1.0±0.0 g/cm3
Boiling Point: 529.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 80.5±0.0 kJ/mol
Flash Point: 274.0±0.0 °C
Index of Refraction: 1.528
Molar Refractivity: 125.0±0.0 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 8.88
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1620245.75
ACD/LogD (pH 7.4): 8.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1623588.38
Polar Surface Area: 33 Å2
Polarizability: 49.5±0.0 10-24cm3
Surface Tension: 37.0±0.0 dyne/cm
Molar Volume: 405.8±0.0 cm3

Click to predict properties on the Chemicalize site


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