ChemSpider 2D Image | 4-(3-Iodophenyl)-4-oxobutanenitrile | C10H8INO

4-(3-Iodophenyl)-4-oxobutanenitrile

  • Molecular FormulaC10H8INO
  • Average mass285.081 Da
  • Monoisotopic mass284.965057 Da
  • ChemSpider ID21398537

More details:

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

4-(3-Iodophenyl)-4-oxobutanenitrile [ACD/IUPAC Name]
4-(3-Iodophényl)-4-oxobutanenitrile [French] [ACD/IUPAC Name]
4-(3-Iodphenyl)-4-oxobutannitril [German] [ACD/IUPAC Name]
Benzenebutanenitrile, 3-iodo-γ-oxo- [ACD/Index Name]
4-(3-Iodophenyl )-4-oxobutyronitrile
4-(3-Iodophenyl)-4-oxobutyronitrile
898767-92-5 [RN]
MFCD02260581 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 415.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.2±24.6 °C
Index of Refraction: 1.605
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.77
ACD/KOC (pH 5.5): 828.23
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.77
ACD/KOC (pH 7.4): 828.23
Polar Surface Area: 41 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 169.4±3.0 cm3

Click to predict properties on the Chemicalize site


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