ChemSpider 2D Image | (4E)-4-(3-Ethoxy-4-propoxybenzylidene)-5-methyl-2-(pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one | C22H19F5N2O3

(4E)-4-(3-Ethoxy-4-propoxybenzylidene)-5-methyl-2-(pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC22H19F5N2O3
  • Average mass454.390 Da
  • Monoisotopic mass454.131592 Da
  • ChemSpider ID79558839

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-(3-Ethoxy-4-propoxybenzyliden)-5-methyl-2-(pentafluorphenyl)-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
(4E)-4-(3-Ethoxy-4-propoxybenzylidene)-5-methyl-2-(pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
(4E)-4-(3-Éthoxy-4-propoxybenzylidène)-5-méthyl-2-(pentafluorophényl)-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 4-[(3-ethoxy-4-propoxyphenyl)methylene]-2,4-dihydro-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)-, (4E)- [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: 516.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.9±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 105.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1665.31
ACD/KOC (pH 5.5): 7039.53
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1665.31
ACD/KOC (pH 7.4): 7039.53
Polar Surface Area: 51 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 33.7±7.0 dyne/cm
Molar Volume: 338.6±7.0 cm3

Click to predict properties on the Chemicalize site


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