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Search term: IRBHLPREIWLKBY (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-Chloro-1,2,3,5-hexatetraene | C6H5Cl

4-Chloro-1,2,3,5-hexatetraene

  • Molecular FormulaC6H5Cl
  • Average mass112.557 Da
  • Monoisotopic mass112.007980 Da
  • ChemSpider ID62796350

More details:






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

1,2,3,5-Hexatetraene, 4-chloro- [ACD/Index Name]
4-Chlor-1,2,3,5-hexatetraen [German] [ACD/IUPAC Name]
4-Chloro-1,2,3,5-hexatetraene [ACD/IUPAC Name]
4-Chloro-1,2,3,5-hexatétraène [French] [ACD/IUPAC Name]
857793-89-6 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 173.4±7.0 °C at 760 mmHg
Vapour Pressure: 1.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.3±3.0 kJ/mol
Flash Point: 54.3±13.6 °C
Index of Refraction: 1.450
Molar Refractivity: 34.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.83
ACD/KOC (pH 5.5): 595.45
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.83
ACD/KOC (pH 7.4): 595.45
Polar Surface Area: 0 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 6.3±3.0 dyne/cm
Molar Volume: 126.3±3.0 cm3

Click to predict properties on the Chemicalize site






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