ChemSpider 2D Image | 1-Chloro-3-[(4-methylphenyl)ethynyl]benzene | C15H11Cl

1-Chloro-3-[(4-methylphenyl)ethynyl]benzene

  • Molecular FormulaC15H11Cl
  • Average mass226.701 Da
  • Monoisotopic mass226.054932 Da
  • ChemSpider ID57589403

More details:

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

1-Chlor-3-[(4-methylphenyl)ethinyl]benzol [German] [ACD/IUPAC Name]
1-Chloro-3-[(4-methylphenyl)ethynyl]benzene [ACD/IUPAC Name]
1-Chloro-3-[(4-méthylphényl)éthynyl]benzène [French] [ACD/IUPAC Name]
Benzene, 1-chloro-3-[2-(4-methylphenyl)ethynyl]- [ACD/Index Name]
1-[2-(3-chlorophenyl)ethynyl]-4-methylbenzene
65016-21-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 349.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 160.0±21.3 °C
Index of Refraction: 1.622
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5682.40
ACD/KOC (pH 5.5): 16946.75
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5682.40
ACD/KOC (pH 7.4): 16946.75
Polar Surface Area: 0 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 193.6±5.0 cm3

Click to predict properties on the Chemicalize site


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