ChemSpider 2D Image | 3-tert-butyl-5-chloro-1-methyl-1H-pyrazole | C8H13ClN2

3-tert-butyl-5-chloro-1-methyl-1H-pyrazole

  • Molecular FormulaC8H13ClN2
  • Average mass172.655 Da
  • Monoisotopic mass172.076721 Da
  • ChemSpider ID64887974

More details:

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

1429249-89-7 [RN]
1H-Pyrazole, 5-chloro-3-(1,1-dimethylethyl)-1-methyl- [ACD/Index Name]
3-tert-butyl-5-chloro-1-methyl-1H-pyrazole
5-Chlor-1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazol [German] [ACD/IUPAC Name]
5-Chloro-1-methyl-3-(2-methyl-2-propanyl)-1H-pyrazole [ACD/IUPAC Name]
5-Chloro-1-méthyl-3-(2-méthyl-2-propanyl)-1H-pyrazole [French] [ACD/IUPAC Name]
3-(tert-Butyl)-5-chloro-1-methyl-1H-pyrazole
MFCD21667410

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

Density: 1.1±0.1 g/cm3
Boiling Point: 212.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.1±3.0 kJ/mol
Flash Point: 82.5±21.8 °C
Index of Refraction: 1.518
Molar Refractivity: 48.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.78
ACD/KOC (pH 5.5): 821.20
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.79
ACD/KOC (pH 7.4): 821.29
Polar Surface Area: 18 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 30.9±7.0 dyne/cm
Molar Volume: 159.4±7.0 cm3

Click to predict properties on the Chemicalize site


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