ChemSpider 2D Image | (1R,2R,5S,6S,9S,10R,13S,14S)-1,6,7,8,9,14,15,16,17,17,18,18-Dodecachloropentacyclo[12.2.1.1~6,9~.0~2,13~.0~5,10~]octadeca-7,15-diene | C18H12Cl12

(1R,2R,5S,6S,9S,10R,13S,14S)-1,6,7,8,9,14,15,16,17,17,18,18-Dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene

  • Molecular FormulaC18H12Cl12
  • Average mass653.724 Da
  • Monoisotopic mass647.720154 Da
  • ChemSpider ID78430419

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2R,5S,6S,9S,10R,13S,14S)-1,6,7,8,9,14,15,16,17,17,18,18-Dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene [ACD/IUPAC Name]
(1R,2R,5S,6S,9S,10R,13S,14S)-1,6,7,8,9,14,15,16,17,17,18,18-Dodécachloropentacyclo[12.2.1.16,9.02,13.05,10]octadéca-7,15-diène [French] [ACD/IUPAC Name]
(1R,2R,5S,6S,9S,10R,13S,14S)-1,6,7,8,9,14,15,16,17,17,18,18-Dodecachlorpentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-dien [German] [ACD/IUPAC Name]
1,4:7,10-Dimethanodibenzo[a,e]cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-, (1R,4S,4aS,6aR,7S,10S,10aS,12aR)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 311.3±27.5 °C
Index of Refraction: 1.659
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 9.51
ACD/LogD (pH 5.5): 9.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2934735.00
ACD/LogD (pH 7.4): 9.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2934735.00
Polar Surface Area: 0 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 358.1±5.0 cm3

Click to predict properties on the Chemicalize site


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