ChemSpider 2D Image | ethyl 1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylate | C11H18N2O2

ethyl 1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylate

  • Molecular FormulaC11H18N2O2
  • Average mass210.273 Da
  • Monoisotopic mass210.136826 Da
  • ChemSpider ID21474013

More details:

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

175277-08-4 [RN]
1H-Pyrazole-5-carboxylic acid, 1-(1,1-dimethylethyl)-3-methyl-, ethyl ester [ACD/Index Name]
3-Méthyl-1-(2-méthyl-2-propanyl)-1H-pyrazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
ethyl 1-(tert-butyl)-3-methyl-1H-pyrazole-5-carboxylate
Ethyl 3-methyl-1-(2-methyl-2-propanyl)-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-3-methyl-1-(2-methyl-2-propanyl)-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
1-(TERT-BUTYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
1H-PYRAZOLE-5-CARBOXYLICACID, 1-(1,1-DIMETHYLETHYL)-3-METHYL-, ETHYL ESTER
2-tert-butyl-5-methyl-3-pyrazolecarboxylic acid ethyl ester
ethyl 1-(tert-butyl)-3-methylpyrazole-5-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 293.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 131.2±21.8 °C
Index of Refraction: 1.503
Molar Refractivity: 59.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.67
ACD/KOC (pH 5.5): 577.94
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.67
ACD/KOC (pH 7.4): 577.96
Polar Surface Area: 44 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 32.3±7.0 dyne/cm
Molar Volume: 201.5±7.0 cm3

Click to predict properties on the Chemicalize site


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