ChemSpider 2D Image | 4-Iodo-1-(mesitylmethyl)-1H-pyrazole | C13H15IN2

4-Iodo-1-(mesitylmethyl)-1H-pyrazole

  • Molecular FormulaC13H15IN2
  • Average mass326.176 Da
  • Monoisotopic mass326.027985 Da
  • ChemSpider ID46204334

More details:

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

1H-Pyrazole, 4-iodo-1-[(2,4,6-trimethylphenyl)methyl]- [ACD/Index Name]
4-Iod-1-(mesitylmethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
4-Iodo-1-(mesitylmethyl)-1H-pyrazole [ACD/IUPAC Name]
4-Iodo-1-(mésitylméthyl)-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 410.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 201.8±25.4 °C
Index of Refraction: 1.628
Molar Refractivity: 76.5±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1687.11
ACD/KOC (pH 5.5): 7105.37
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1687.12
ACD/KOC (pH 7.4): 7105.40
Polar Surface Area: 18 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 215.4±7.0 cm3

Click to predict properties on the Chemicalize site


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