Try beta.chemspider
1,9,10,11,12,12-Hexachloro-4-oxatetracyclo[7.2.1.0~2,8~.0~3,5~]dodec-2(8)-ene
C1CC2=C(C3C1O3)C4(C(C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI=1S/C11H8Cl6O/c12-7-8(13)10(15)5-3(1-2-4-6(5)18-4)9(7,14)11(10,16)17/h4,6-8H,1-2H2
AIRVKKDUPRDQTC-UHFFFAOYSA-N
CSID:144855, http://www.chemspider.com/Chemical-Structure.144855.html (accessed 01:42, Apr 26, 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) = 4.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 346.90 (Adapted Stein & Brown method) Melting Pt (deg C): 131.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.33E-005 (Modified Grain method) Subcooled liquid VP: 0.000156 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): 0.6698 log Kow used: 4.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.45313 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Vinyl/Allyl Halides Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.09E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.638E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.51 (KowWin est) Log Kaw used: -4.898 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.408 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9956 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.6998 (recalcitrant) Biowin4 (Primary Survey Model) : 2.2418 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0853 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5940 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): 0.0208 Pa (0.000156 mm Hg) Log Koa (Koawin est ): 9.408 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000144 Octanol/air (Koa) model: 0.000628 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00518 Mackay model : 0.0114 Octanol/air (Koa) model: 0.0478 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 113.4285 E-12 cm3/molecule-sec Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.132 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 Min Fraction sorbed to airborne particulates (phi): 0.00829 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4037 Log Koc: 3.606 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 9.799E+005 L/mol-sec [cis-isomer] Total Ka (acid-catalyzed) at 25 deg C : 2.297E+005 L/mol-sec [trans-isomer] Ka Half-Life at pH 7: 7.073 seconds [cis-isomer] Ka Half-Life at pH 7: 30.171 seconds [trans-isomer] Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.773 (BCF = 592.3) log Kow used: 4.51 (estimated) Volatilization from Water: Henry LC: 3.09E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3641 hours (151.7 days) Half-Life from Model Lake : 3.988E+004 hours (1662 days) Removal In Wastewater Treatment: Total removal: 56.56 percent Total biodegradation: 0.53 percent Total sludge adsorption: 56.03 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00271 0.273 1000 Water 5.72 4.32e+003 1000 Soil 85.4 8.64e+003 1000 Sediment 8.92 3.89e+004 0 Persistence Time: 4.82e+003 hr
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