ChemSpider 2D Image | 2,6-Dichloro-4-(3-methyl-3-buten-1-yn-1-yl)benzonitrile | C12H7Cl2N

2,6-Dichloro-4-(3-methyl-3-buten-1-yn-1-yl)benzonitrile

  • Molecular FormulaC12H7Cl2N
  • Average mass236.097 Da
  • Monoisotopic mass234.995560 Da
  • ChemSpider ID83524283

More details:






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

2,6-Dichlor-4-(3-methyl-3-buten-1-in-1-yl)benzonitril [German] [ACD/IUPAC Name]
2,6-Dichloro-4-(3-methyl-3-buten-1-yn-1-yl)benzonitrile [ACD/IUPAC Name]
2,6-Dichloro-4-(3-méthyl-3-butén-1-yn-1-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2,6-dichloro-4-(3-methyl-3-buten-1-yn-1-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 371.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 158.8±22.1 °C
Index of Refraction: 1.590
Molar Refractivity: 61.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1739.00
ACD/KOC (pH 5.5): 7261.12
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1739.00
ACD/KOC (pH 7.4): 7261.12
Polar Surface Area: 24 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 182.7±5.0 cm3

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