ChemSpider 2D Image | 2-Methyl-2-propanyl 2-(3-iodo-1H-pyrazol-1-yl)-2-methylpropanoate | C11H17IN2O2

2-Methyl-2-propanyl 2-(3-iodo-1H-pyrazol-1-yl)-2-methylpropanoate

  • Molecular FormulaC11H17IN2O2
  • Average mass336.169 Da
  • Monoisotopic mass336.033478 Da
  • ChemSpider ID96940104

More details:

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

1H-Pyrazole-1-acetic acid, 3-iodo-α,α-dimethyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(3-Iodo-1H-pyrazol-1-yl)-2-méthylpropanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(3-iodo-1H-pyrazol-1-yl)-2-methylpropanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(3-iod-1H-pyrazol-1-yl)-2-methylpropanoat [German] [ACD/IUPAC Name]
1650548-57-4 [RN]
Tert-butyl 2-(3-iodo-1H-pyrazol-1-yl)-2-methylpropanoate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 349.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 165.3±22.3 °C
Index of Refraction: 1.561
Molar Refractivity: 72.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 248.67
ACD/KOC (pH 5.5): 1804.63
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 248.67
ACD/KOC (pH 7.4): 1804.63
Polar Surface Area: 44 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 38.1±7.0 dyne/cm
Molar Volume: 224.5±7.0 cm3

Click to predict properties on the Chemicalize site


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