ChemSpider 2D Image | Isobutyl 1-pentyl-1H-indazole-3-carboxylate | C17H24N2O2

Isobutyl 1-pentyl-1H-indazole-3-carboxylate

  • Molecular FormulaC17H24N2O2
  • Average mass288.385 Da
  • Monoisotopic mass288.183777 Da
  • ChemSpider ID58794748

More details:






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

1H-Indazole-3-carboxylic acid, 1-pentyl-, 2-methylpropyl ester [ACD/Index Name]
1-Pentyl-1H-indazole-3-carboxylate d'isobutyle [French] [ACD/IUPAC Name]
Isobutyl 1-pentyl-1H-indazole-3-carboxylate [ACD/IUPAC Name]
Isobutyl-1-pentyl-1H-indazol-3-carboxylat [German] [ACD/IUPAC Name]
2-METHYLPROPYL 1-PENTYL-1H-INDAZOLE-3-CARBOXYLATE
2-METHYLPROPYL 1-PENTYLINDAZOLE-3-CARBOXYLATE
Isobutyl 1-pentyl-1H-indazole-3-carboxylate (CRM)
Isobutyl 1-pentyl-1H-indazole-3-carboxylate RM

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 402.4±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 197.1±21.2 °C
Index of Refraction: 1.548
Molar Refractivity: 84.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5268.39
ACD/KOC (pH 5.5): 16053.50
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5268.39
ACD/KOC (pH 7.4): 16053.50
Polar Surface Area: 44 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 265.9±7.0 cm3

Click to predict properties on the Chemicalize site






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