ChemSpider 2D Image | (3R,4R,5S,6R)-1,3,4,5,6-Pentachlorocyclohexene | C6H5Cl5

(3R,4R,5S,6R)-1,3,4,5,6-Pentachlorocyclohexene

  • Molecular FormulaC6H5Cl5
  • Average mass254.369 Da
  • Monoisotopic mass251.883392 Da
  • ChemSpider ID103883296
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3R,4R,5S,6R)-1,3,4,5,6-Pentachlorcyclohexen [German] [ACD/IUPAC Name]
(3R,4R,5S,6R)-1,3,4,5,6-Pentachlorocyclohexene [ACD/IUPAC Name]
(3R,4R,5S,6R)-1,3,4,5,6-Pentachlorocyclohexène [French] [ACD/IUPAC Name]
54083-25-9 [RN]
Cyclohexene, 1,3,4,5,6-pentachloro-, (3R,4R,5S,6R)- [ACD/Index Name]
rel-(3R,4R,5S,6R)-1,3,4,5,6-Pentachlorocyclohexene

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

Density: 1.6±0.1 g/cm3
Boiling Point: 306.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.5±3.0 kJ/mol
Flash Point: 145.5±25.3 °C
Index of Refraction: 1.545
Molar Refractivity: 51.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 385.35
ACD/KOC (pH 5.5): 2469.20
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 385.35
ACD/KOC (pH 7.4): 2469.20
Polar Surface Area: 0 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 162.9±5.0 cm3

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