1,2,3,4,6,7,8,9-Octachlorodibenzo[b,d]furan
c12c3c(c(c(c(c3Cl)Cl)Cl)Cl)oc1c(c(c(c2Cl)Cl)Cl)Cl
InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15
RHIROFAGUQOFLU-UHFFFAOYSA-N
CSID:35020, http://www.chemspider.com/Chemical-Structure.35020.html (accessed 13:51, Mar 28, 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) = 8.87 Log Kow (Exper. database match) = 8.60 Exper. Ref: Burkhard,LP & Kuehl,DW (1986) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 457.70 (Adapted Stein & Brown method) Melting Pt (deg C): 192.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.02E-010 (Modified Grain method) MP (exp database): 258 deg C VP (exp database): 3.75E-12 mm Hg at 25 deg C Subcooled liquid VP: 7.56E-010 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.731e-006 log Kow used: 8.60 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.16e-006 mg/L (25 deg C) Exper. Ref: DOUCETTE,WJ & ANDREN,AW (1988) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.6076e-005 mg/L Wat Sol (Exper. database match) = 0.00 Exper. Ref: DOUCETTE,WJ & ANDREN,AW (1988) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.66E-006 atm-m3/mole Group Method: Incomplete Exper Database: 1.89E-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.190E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.60 (exp database) Log Kaw used: -4.112 (exp database) Log Koa (KOAWIN v1.10 estimate): 12.712 Log Koa (experimental database): 11.900 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9231 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.5657 (recalcitrant) Biowin4 (Primary Survey Model) : 1.8848 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5587 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.3821 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): 1.01E-007 Pa (7.56E-010 mm Hg) Log Koa (Exp database): 11.900 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 29.8 Octanol/air (Koa) model: 0.195 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 0.94 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0107 E-12 cm3/molecule-sec Half-Life = 1001.728 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.57E+005 Log Koc: 5.818 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 = 2.618 (BCF = 415) log Kow used: 8.60 (expkow database) Volatilization from Water: Henry LC: 1.89E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 654.7 hours (27.28 days) Half-Life from Model Lake : 7319 hours (305 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.062 2.4e+004 1000 Water 0.62 4.32e+003 1000 Soil 49.9 8.64e+003 1000 Sediment 49.4 3.89e+004 0 Persistence Time: 1.39e+004 hr
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