ChemSpider 2D Image | Ethyl 4-chloro-3-isobutyl-1-methyl-1H-pyrazole-5-carboxylate | C11H17ClN2O2

Ethyl 4-chloro-3-isobutyl-1-methyl-1H-pyrazole-5-carboxylate

  • Molecular FormulaC11H17ClN2O2
  • Average mass244.718 Da
  • Monoisotopic mass244.097855 Da
  • ChemSpider ID23346271

More details:

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

128537-44-0 [RN]
1H-Pyrazole-5-carboxylic acid, 4-chloro-1-methyl-3-(2-methylpropyl)-, ethyl ester [ACD/Index Name]
4-Chloro-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid ethyl ester
4-Chloro-3-isobutyl-1-méthyl-1H-pyrazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-chloro-3-isobutyl-1-methyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-4-chlor-3-isobutyl-1-methyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
4-CHLORO-1-METHYL-3-(2-METHYLPROPYL)-1H- PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Ethyl 4-chloro-1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylate
ETHYL 4-CHLORO-2-METHYL-5-(2-METHYLPROPYL)PYRAZOLE-3-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 340.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 159.7±27.9 °C
Index of Refraction: 1.531
Molar Refractivity: 63.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 200.42
ACD/KOC (pH 5.5): 1546.44
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 200.42
ACD/KOC (pH 7.4): 1546.44
Polar Surface Area: 44 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 35.0±7.0 dyne/cm
Molar Volume: 206.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement