ChemSpider 2D Image | 3-Iodo-1-isobutyl-1H-pyrazole-4-carbaldehyde | C8H11IN2O

3-Iodo-1-isobutyl-1H-pyrazole-4-carbaldehyde

  • Molecular FormulaC8H11IN2O
  • Average mass278.090 Da
  • Monoisotopic mass277.991608 Da
  • ChemSpider ID58124164

More details:

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

1946813-89-3 [RN]
1H-Pyrazole-4-carboxaldehyde, 3-iodo-1-(2-methylpropyl)- [ACD/Index Name]
3-Iod-1-isobutyl-1H-pyrazol-4-carbaldehyd [German] [ACD/IUPAC Name]
3-iodo-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde
3-iodo-1-(2-methylpropyl)pyrazole-4-carbaldehyde
3-Iodo-1-isobutyl-1H-pyrazole-4-carbaldehyde [ACD/IUPAC Name]
3-Iodo-1-isobutyl-1H-pyrazole-4-carbaldéhyde [French] [ACD/IUPAC Name]
MFCD30377867

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

Density: 1.7±0.1 g/cm3
Boiling Point: 329.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 153.2±23.7 °C
Index of Refraction: 1.624
Molar Refractivity: 57.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.79
ACD/KOC (pH 5.5): 366.24
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.79
ACD/KOC (pH 7.4): 366.24
Polar Surface Area: 35 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 161.4±7.0 cm3

Click to predict properties on the Chemicalize site


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