ChemSpider 2D Image | Ethyl 5-iodo-1-(1-mesityl-2-methylpropyl)-3-(1-methylcyclopropyl)-1H-pyrazole-4-carboxylate | C23H31IN2O2

Ethyl 5-iodo-1-(1-mesityl-2-methylpropyl)-3-(1-methylcyclopropyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC23H31IN2O2
  • Average mass494.409 Da
  • Monoisotopic mass494.143005 Da
  • ChemSpider ID122497602

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-iodo-3-(1-methylcyclopropyl)-1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]-, ethyl ester [ACD/Index Name]
5-Iodo-1-(1-mésityl-2-méthylpropyl)-3-(1-méthylcyclopropyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-iodo-1-(1-mesityl-2-methylpropyl)-3-(1-methylcyclopropyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-iod-1-(1-mesityl-2-methylpropyl)-3-(1-methylcyclopropyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 551.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 287.1±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 122.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 50426.87
ACD/KOC (pH 5.5): 80862.52
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 50426.87
ACD/KOC (pH 7.4): 80862.52
Polar Surface Area: 44 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 353.3±7.0 cm3

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