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

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

  • Molecular FormulaC23H31IN2O2
  • Average mass494.409 Da
  • Monoisotopic mass494.143005 Da
  • ChemSpider ID122491457

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-cyclobutyl-5-iodo-1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]-, ethyl ester [ACD/Index Name]
3-Cyclobutyl-5-iodo-1-(1-mésityl-2-méthylpropyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-cyclobutyl-5-iodo-1-(1-mesityl-2-methylpropyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-3-cyclobutyl-5-iod-1-(1-mesityl-2-methylpropyl)-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: 542.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.0±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 121.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 70381.09
ACD/KOC (pH 5.5): 102657.27
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 70381.09
ACD/KOC (pH 7.4): 102657.27
Polar Surface Area: 44 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 348.8±7.0 cm3

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