1,2,3-Trichlorodibenzo[b,d]furan
c1ccc2c(c1)c3c(o2)cc(c(c3Cl)Cl)Cl
InChI=1S/C12H5Cl3O/c13-7-5-9-10(12(15)11(7)14)6-3-1-2-4-8(6)16-9/h1-5H
LADSWAAWPMGHBE-UHFFFAOYSA-N
CSID:49718, http://www.chemspider.com/Chemical-Structure.49718.html (accessed 23:13, Sep 25, 2023)
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) = 5.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 358.76 (Adapted Stein & Brown method) Melting Pt (deg C): 125.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.23E-006 (Modified Grain method) Subcooled liquid VP: 8.17E-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): 0.01081 log Kow used: 5.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.03013 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.67E-005 atm-m3/mole Group Method: 6.29E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.720E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.98 (KowWin est) Log Kaw used: -3.166 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.146 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2029 Biowin2 (Non-Linear Model) : 0.0095 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9212 (months ) Biowin4 (Primary Survey Model) : 3.0371 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1592 Biowin6 (MITI Non-Linear Model): 0.0172 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6699 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): 0.0109 Pa (8.17E-005 mm Hg) Log Koa (Koawin est ): 9.146 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000275 Octanol/air (Koa) model: 0.000344 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00985 Mackay model : 0.0216 Octanol/air (Koa) model: 0.0267 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.1115 E-12 cm3/molecule-sec Half-Life = 9.623 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 115.471 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0157 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.104E+004 Log Koc: 4.708 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 = 3.907 (BCF = 8068) log Kow used: 5.98 (estimated) Volatilization from Water: Henry LC: 6.29E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 17.02 hours Half-Life from Model Lake : 323.8 hours (13.49 days) Removal In Wastewater Treatment: Total removal: 92.08 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.24 percent Total to Air: 0.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.735 231 1000 Water 2.97 1.44e+003 1000 Soil 39.3 2.88e+003 1000 Sediment 57 1.3e+004 0 Persistence Time: 3.62e+003 hr
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