ChemSpider 2D Image | (2S)-3-(2,6-Dichlorophenyl)-2-[4-(2-methyl-2-propanyl)phenyl]propanenitrile | C19H19Cl2N

(2S)-3-(2,6-Dichlorophenyl)-2-[4-(2-methyl-2-propanyl)phenyl]propanenitrile

  • Molecular FormulaC19H19Cl2N
  • Average mass332.267 Da
  • Monoisotopic mass331.089447 Da
  • ChemSpider ID62632028

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(2,6-Dichlorophenyl)-2-[4-(2-methyl-2-propanyl)phenyl]propanenitrile [ACD/IUPAC Name]
(2S)-3-(2,6-Dichlorophényl)-2-[4-(2-méthyl-2-propanyl)phényl]propanenitrile [French] [ACD/IUPAC Name]
(2S)-3-(2,6-Dichlorphenyl)-2-[4-(2-methyl-2-propanyl)phenyl]propannitril [German] [ACD/IUPAC Name]
Benzenepropanenitrile, 2,6-dichloro-α-[4-(1,1-dimethylethyl)phenyl]-, (αS)- [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: 430.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 158.1±21.6 °C
Index of Refraction: 1.568
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40263.70
ACD/KOC (pH 5.5): 68830.43
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 40263.70
ACD/KOC (pH 7.4): 68830.43
Polar Surface Area: 24 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 284.2±3.0 cm3

Click to predict properties on the Chemicalize site


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