Try beta.chemspider
1,8,9,10,12,12-Hexachlorotetracyclo[6.2.1.1~3,6~.0~2,7~]dodeca-4,9-diene
C1C2(C3C4C=CC(C3C1(C(=C2Cl)Cl)Cl)C4(Cl)Cl)Cl
InChI=1S/C12H8Cl6/c13-8-9(14)11(16)3-10(8,15)6-4-1-2-5(7(6)11)12(4,17)18/h1-2,4-7H,3H2
NLGCCJWTJCDJIX-UHFFFAOYSA-N
CSID:157899, http://www.chemspider.com/Chemical-Structure.157899.html (accessed 16:59, May 13, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 329.86 (Adapted Stein & Brown method) Melting Pt (deg C): 120.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.4E-005 (Modified Grain method) Subcooled liquid VP: 0.000394 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.008672 log Kow used: 6.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0023963 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.87E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.436E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.75 (KowWin est) Log Kaw used: -1.801 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.551 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6463 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.7173 (recalcitrant) Biowin4 (Primary Survey Model) : 2.2573 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0822 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3638 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0525 Pa (0.000394 mm Hg) Log Koa (Koawin est ): 8.551 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.71E-005 Octanol/air (Koa) model: 8.73E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00206 Mackay model : 0.00455 Octanol/air (Koa) model: 0.00694 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.3624 E-12 cm3/molecule-sec Half-Life = 0.169 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.026 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.003578 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 0.0033 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.016E+005 Log Koc: 5.007 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.497 (BCF = 3.137e+004) log Kow used: 6.75 (estimated) Volatilization from Water: Henry LC: 0.000387 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.839 hours Half-Life from Model Lake : 213 hours (8.874 days) Removal In Wastewater Treatment: Total removal: 93.71 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.87 percent Total to Air: 0.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00545 1.03 1000 Water 0.892 4.32e+003 1000 Soil 42.9 8.64e+003 1000 Sediment 56.2 3.89e+004 0 Persistence Time: 9.68e+003 hr
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