Try beta.chemspider
1,2,3,4-Tetrachlorodibenzo[b,d]furan
c1ccc2c(c1)c3c(o2)c(c(c(c3Cl)Cl)Cl)Cl
InChI=1S/C12H4Cl4O/c13-8-7-5-3-1-2-4-6(5)17-12(7)11(16)10(15)9(8)14/h1-4H
AETAPIFVELRIDN-UHFFFAOYSA-N
CSID:32526, http://www.chemspider.com/Chemical-Structure.32526.html (accessed 06:12, 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) = 6.29 Log Kow (Exper. database match) = 6.17 Exper. Ref: Sijm,DTHM et al. (1989) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 382.92 (Adapted Stein & Brown method) Melting Pt (deg C): 138.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.02E-007 (Modified Grain method) MP (exp database): 169 deg C Subcooled liquid VP: 2.15E-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): 0.004731 log Kow used: 6.17 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.030716 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.54E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.974E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.17 (exp database) Log Kaw used: -3.201 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.371 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1278 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6966 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7449 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1406 Biowin6 (MITI Non-Linear Model): 0.0012 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1547 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): 0.00287 Pa (2.15E-005 mm Hg) Log Koa (Koawin est ): 9.371 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00105 Octanol/air (Koa) model: 0.000577 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0364 Mackay model : 0.0773 Octanol/air (Koa) model: 0.0441 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2531 E-12 cm3/molecule-sec Half-Life = 42.258 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0568 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.614E+004 Log Koc: 4.935 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 = 4.051 (BCF = 1.124e+004) log Kow used: 6.17 (expkow database) Volatilization from Water: Henry LC: 1.54E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 68.29 hours (2.845 days) Half-Life from Model Lake : 891.6 hours (37.15 days) Removal In Wastewater Treatment: Total removal: 92.76 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.98 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 0.243 1.01e+003 1000 Water 1.27 4.32e+003 1000 Soil 48.4 8.64e+003 1000 Sediment 50.1 3.89e+004 0 Persistence Time: 1.02e+004 hr
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