ChemSpider 2D Image | 2-(4-Isopropoxyphenyl)-1-(4-methylphenyl)-5-oxo-2-pyrrolidinecarbonitrile | C21H22N2O2

2-(4-Isopropoxyphenyl)-1-(4-methylphenyl)-5-oxo-2-pyrrolidinecarbonitrile

  • Molecular FormulaC21H22N2O2
  • Average mass334.412 Da
  • Monoisotopic mass334.168121 Da
  • ChemSpider ID21134822

More details:

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

2-(4-Isopropoxyphenyl)-1-(4-methylphenyl)-5-oxo-2-pyrrolidincarbonitril [German] [ACD/IUPAC Name]
2-(4-Isopropoxyphenyl)-1-(4-methylphenyl)-5-oxo-2-pyrrolidinecarbonitrile [ACD/IUPAC Name]
2-(4-Isopropoxyphényl)-1-(4-méthylphényl)-5-oxo-2-pyrrolidinecarbonitrile [French] [ACD/IUPAC Name]
2-Pyrrolidinecarbonitrile, 2-[4-(1-methylethoxy)phenyl]-1-(4-methylphenyl)-5-oxo- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.5±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 96.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 443.76
ACD/KOC (pH 5.5): 2731.68
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 443.76
ACD/KOC (pH 7.4): 2731.68
Polar Surface Area: 53 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 281.8±5.0 cm3

Click to predict properties on the Chemicalize site


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