ChemSpider 2D Image | 3-(4-Methylphenyl)-1-[(1E)-1-(4-methylphenyl)-3-oxo-1-propen-1-yl]-1H-pyrazole-4-carbaldehyde | C21H18N2O2

3-(4-Methylphenyl)-1-[(1E)-1-(4-methylphenyl)-3-oxo-1-propen-1-yl]-1H-pyrazole-4-carbaldehyde

  • Molecular FormulaC21H18N2O2
  • Average mass330.380 Da
  • Monoisotopic mass330.136841 Da
  • ChemSpider ID24740692

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-4-carboxaldehyde, 3-(4-methylphenyl)-1-[(1E)-1-(4-methylphenyl)-3-oxo-1-propen-1-yl]- [ACD/Index Name]
3-(4-Methylphenyl)-1-[(1E)-1-(4-methylphenyl)-3-oxo-1-propen-1-yl]-1H-pyrazol-4-carbaldehyd [German] [ACD/IUPAC Name]
3-(4-Methylphenyl)-1-[(1E)-1-(4-methylphenyl)-3-oxo-1-propen-1-yl]-1H-pyrazole-4-carbaldehyde [ACD/IUPAC Name]
3-(4-Méthylphényl)-1-[(1E)-1-(4-méthylphényl)-3-oxo-1-propén-1-yl]-1H-pyrazole-4-carbaldéhyde [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 470.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.1±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 100.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 383.99
ACD/KOC (pH 5.5): 2462.98
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 383.99
ACD/KOC (pH 7.4): 2462.99
Polar Surface Area: 52 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 293.4±7.0 cm3

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