ChemSpider 2D Image | Diisopropyl 5-benzyl-3-ethoxy-1H-pyrazole-1,4-dicarboxylate | C20H26N2O5

Diisopropyl 5-benzyl-3-ethoxy-1H-pyrazole-1,4-dicarboxylate

  • Molecular FormulaC20H26N2O5
  • Average mass374.431 Da
  • Monoisotopic mass374.184174 Da
  • ChemSpider ID21156794

More details:

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

1H-Pyrazole-1,4-dicarboxylic acid, 3-ethoxy-5-(phenylmethyl)-, bis(1-methylethyl) ester [ACD/Index Name]
5-Benzyl-3-éthoxy-1H-pyrazole-1,4-dicarboxylate de diisopropyle [French] [ACD/IUPAC Name]
Diisopropyl 5-benzyl-3-ethoxy-1H-pyrazole-1,4-dicarboxylate [ACD/IUPAC Name]
Diisopropyl-5-benzyl-3-ethoxy-1H-pyrazol-1,4-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.5±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 516.18
ACD/KOC (pH 5.5): 3043.88
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 516.18
ACD/KOC (pH 7.4): 3043.88
Polar Surface Area: 80 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 38.2±7.0 dyne/cm
Molar Volume: 322.6±7.0 cm3

Click to predict properties on the Chemicalize site


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