Try beta.chemspider
2-(1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)oxirane
C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C3CO3
InChI=1S/C9H6Cl6O/c10-5-6(11)8(13)3(4-2-16-4)1-7(5,12)9(8,14)15/h3-4H,1-2H2
ADYBGWQSWJHWDU-UHFFFAOYSA-N
CSID:209118, http://www.chemspider.com/Chemical-Structure.209118.html (accessed 22:10, May 16, 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) = 4.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 307.65 (Adapted Stein & Brown method) Melting Pt (deg C): 105.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000212 (Modified Grain method) Subcooled liquid VP: 0.0013 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): 0.5077 log Kow used: 4.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2092 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 : 1.19E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.884E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.84 (KowWin est) Log Kaw used: -4.313 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.153 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9832 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.7574 (recalcitrant) Biowin4 (Primary Survey Model) : 2.2793 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0327 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6729 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): 0.173 Pa (0.0013 mm Hg) Log Koa (Koawin est ): 9.153 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.73E-005 Octanol/air (Koa) model: 0.000349 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000625 Mackay model : 0.00138 Octanol/air (Koa) model: 0.0272 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.7986 E-12 cm3/molecule-sec Half-Life = 1.573 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.879 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): 0.001 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1669 Log Koc: 3.222 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 1.224E-003 L/mol-sec Ka Half-Life at pH 7: 179.416 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.023 (BCF = 1055) log Kow used: 4.84 (estimated) Volatilization from Water: Henry LC: 1.19E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 912.9 hours (38.04 days) Half-Life from Model Lake : 1.011E+004 hours (421.4 days) Removal In Wastewater Treatment: Total removal: 72.00 percent Total biodegradation: 0.64 percent Total sludge adsorption: 71.35 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.194 37.6 1000 Water 4.74 4.32e+003 1000 Soil 79 8.64e+003 1000 Sediment 16 3.89e+004 0 Persistence Time: 5.57e+003 hr
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