Try beta.chemspider
1,5,6,8,9,10,11,11-Octachloro-4-oxatetracyclo[6.2.1.0~2,7~.0~3,5~]undec-9-ene
C12C(C(C3(C1O3)Cl)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H
VWGNQYSIWFHEQU-UHFFFAOYSA-N
CSID:31129, http://www.chemspider.com/Chemical-Structure.31129.html (accessed 05:16, Jun 5, 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) = 5.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 353.24 (Adapted Stein & Brown method) Melting Pt (deg C): 144.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.99E-006 (Modified Grain method) MP (exp database): 144 deg C BP (exp database): 353 deg C Subcooled liquid VP: 0.000112 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): 0.04512 log Kow used: 5.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.014226 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.64E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.638E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.48 (KowWin est) Log Kaw used: -5.452 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.932 Log Koa (experimental database): 8.390 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.4284 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.0201 (recalcitrant) Biowin4 (Primary Survey Model) : 1.8080 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2181 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7176 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): 0.0149 Pa (0.000112 mm Hg) Log Koa (Exp database): 8.390 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000201 Octanol/air (Koa) model: 6.03E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0072 Mackay model : 0.0158 Octanol/air (Koa) model: 0.0048 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.8141 E-12 cm3/molecule-sec Half-Life = 2.222 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 26.661 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.003579 E-17 cm3/molecule-sec Half-Life = 320.239 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.0115 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8133 Log Koc: 3.910 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 1.307E-010 L/mol-sec Ka Half-Life at pH 7: 1.681E+009 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.523 (BCF = 3335) log Kow used: 5.48 (estimated) Volatilization from Water: Henry LC: 8.64E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.395E+004 hours (581.3 days) Half-Life from Model Lake : 1.524E+005 hours (6349 days) Removal In Wastewater Treatment: Total removal: 88.02 percent Total biodegradation: 0.74 percent Total sludge adsorption: 87.28 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0671 53 1000 Water 2.3 4.32e+003 1000 Soil 67.2 8.64e+003 1000 Sediment 30.5 3.89e+004 0 Persistence Time: 9.3e+003 hr
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