1,8,9,10-Tetrachlorotricyclo[6.2.1.0~2,7~]undeca-4,9-diene-3,6-dione
C1C2(C3C(C1(C(=C2Cl)Cl)Cl)C(=O)C=CC3=O)Cl
InChI=1S/C11H6Cl4O2/c12-8-9(13)11(15)3-10(8,14)6-4(16)1-2-5(17)7(6)11/h1-2,6-7H,3H2
UTEKTETVPDDQFA-UHFFFAOYSA-N
CSID:195562, http://www.chemspider.com/Chemical-Structure.195562.html (accessed 04:45, Mar 29, 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) = 2.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 360.61 (Adapted Stein & Brown method) Melting Pt (deg C): 140.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.07E-006 (Modified Grain method) Subcooled liquid VP: 7.38E-005 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): 66.09 log Kow used: 2.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.6415 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ketones Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.21E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.149E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.57 (KowWin est) Log Kaw used: -8.044 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.614 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2007 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3478 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6439 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2161 Biowin6 (MITI Non-Linear Model): 0.0014 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8630 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): 0.00984 Pa (7.38E-005 mm Hg) Log Koa (Koawin est ): 10.614 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000305 Octanol/air (Koa) model: 0.0101 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0109 Mackay model : 0.0238 Octanol/air (Koa) model: 0.447 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.0167 E-12 cm3/molecule-sec Half-Life = 0.188 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.251 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.178579 E-17 cm3/molecule-sec Half-Life = 6.417 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.0174 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 193.5 Log Koc: 2.287 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 = 1.283 (BCF = 19.17) log Kow used: 2.57 (estimated) Volatilization from Water: Henry LC: 2.21E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.679E+006 hours (1.95E+005 days) Half-Life from Model Lake : 5.105E+007 hours (2.127E+006 days) Removal In Wastewater Treatment: Total removal: 3.31 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.21 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 0.000609 4.37 1000 Water 11.2 4.32e+003 1000 Soil 88.7 8.64e+003 1000 Sediment 0.117 3.89e+004 0 Persistence Time: 4.94e+003 hr
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