ChemSpider 2D Image | 3-(2-Ethyl-5-iodophenyl)propanenitrile | C11H12IN

3-(2-Ethyl-5-iodophenyl)propanenitrile

  • Molecular FormulaC11H12IN
  • Average mass285.124 Da
  • Monoisotopic mass285.001434 Da
  • ChemSpider ID61193830

More details:

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

3-(2-Ethyl-5-iodophenyl)propanenitrile [ACD/IUPAC Name]
3-(2-Éthyl-5-iodophényl)propanenitrile [French] [ACD/IUPAC Name]
3-(2-Ethyl-5-iodphenyl)propannitril [German] [ACD/IUPAC Name]
Benzenepropanenitrile, 2-ethyl-5-iodo- [ACD/Index Name]
1806676-74-3 [RN]
2-Ethyl-5-iodophenylpropanenitrile

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

Density: 1.5±0.1 g/cm3
Boiling Point: 347.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 164.1±24.6 °C
Index of Refraction: 1.586
Molar Refractivity: 62.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 499.80
ACD/KOC (pH 5.5): 2974.42
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 499.80
ACD/KOC (pH 7.4): 2974.42
Polar Surface Area: 24 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 187.0±3.0 cm3

Click to predict properties on the Chemicalize site


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