3,6-Dichlorodibenzo[b,d]furan
c1cc2c3ccc(cc3oc2c(c1)Cl)Cl
InChI=1S/C12H6Cl2O/c13-7-4-5-8-9-2-1-3-10(14)12(9)15-11(8)6-7/h1-6H
DMOBGFAKTSXOHG-UHFFFAOYSA-N
CSID:48004, http://www.chemspider.com/Chemical-Structure.48004.html (accessed 11:21, 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) = 5.00 Log Kow (Exper. database match) = 5.44 Exper. Ref: Doucette,WJ & Andren,AW (1987) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 345.53 (Adapted Stein & Brown method) Melting Pt (deg C): 108.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.69E-006 (Modified Grain method) MP (exp database): 184 deg C VP (exp database): 2.93E-06 mm Hg at 25 deg C Subcooled liquid VP: 0.000109 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): 0.04888 log Kow used: 5.44 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.0145 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.57594 mg/L Wat Sol (Exper. database match) = 0.01 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.81E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.355E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.44 (exp database) Log Kaw used: -2.940 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.380 Log Koa (experimental database): 8.360 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2698 Biowin2 (Non-Linear Model) : 0.0123 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2620 (weeks-months) Biowin4 (Primary Survey Model) : 3.1750 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0685 Biowin6 (MITI Non-Linear Model): 0.0174 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5410 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): 0.0145 Pa (0.000109 mm Hg) Log Koa (Exp database): 8.360 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000206 Octanol/air (Koa) model: 5.62E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0074 Mackay model : 0.0162 Octanol/air (Koa) model: 0.00448 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.2323 E-12 cm3/molecule-sec Half-Life = 8.679 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 104.153 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0118 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.024E+004 Log Koc: 4.481 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 = 3.489 (BCF = 3082) log Kow used: 5.44 (expkow database) Volatilization from Water: Henry LC: 2.81E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 33.65 hours (1.402 days) Half-Life from Model Lake : 496.2 hours (20.68 days) Removal In Wastewater Treatment: Total removal: 87.51 percent Total biodegradation: 0.74 percent Total sludge adsorption: 86.66 percent Total to Air: 0.11 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.13 117 1000 Water 7.26 900 1000 Soil 50.3 1.8e+003 1000 Sediment 41.4 8.1e+003 0 Persistence Time: 1.83e+003 hr
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