ChemSpider 2D Image | 1-Chloro-4-[6-(phenylethynyl)-1,3-cyclohexadien-1-yl]benzene | C20H15Cl

1-Chloro-4-[6-(phenylethynyl)-1,3-cyclohexadien-1-yl]benzene

  • Molecular FormulaC20H15Cl
  • Average mass290.786 Da
  • Monoisotopic mass290.086243 Da
  • ChemSpider ID74800193

More details:

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

1-Chlor-4-[6-(phenylethinyl)-1,3-cyclohexadien-1-yl]benzol [German] [ACD/IUPAC Name]
1-Chloro-4-[6-(phenylethynyl)-1,3-cyclohexadien-1-yl]benzene [ACD/IUPAC Name]
1-Chloro-4-[6-(phényléthynyl)-1,3-cyclohexadién-1-yl]benzène [French] [ACD/IUPAC Name]
Benzene, 1-chloro-4-[6-(2-phenylethynyl)-1,3-cyclohexadien-1-yl]- [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: 436.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 212.0±24.1 °C
Index of Refraction: 1.650
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 21994.05
ACD/KOC (pH 5.5): 44648.61
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 21994.05
ACD/KOC (pH 7.4): 44648.61
Polar Surface Area: 0 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 243.8±5.0 cm3

Click to predict properties on the Chemicalize site


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