1,2,4,8-Tetrachlorooxanthrene
c1cc2c(cc1Cl)Oc3c(c(cc(c3Cl)Cl)Cl)O2
InChI=1S/C12H4Cl4O2/c13-5-1-2-8-9(3-5)18-12-10(16)6(14)4-7(15)11(12)17-8/h1-4H
XGIKODBWQSAEFQ-UHFFFAOYSA-N
CSID:46536, http://www.chemspider.com/Chemical-Structure.46536.html (accessed 22:33, Jun 4, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 368.87 (Adapted Stein & Brown method) Melting Pt (deg C): 137.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.49E-006 (Modified Grain method) Subcooled liquid VP: 4.69E-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): 0.371 log Kow used: 5.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.12303 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.27E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.985E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.14 (KowWin est) Log Kaw used: -2.527 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.667 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3415 Biowin2 (Non-Linear Model) : 0.0096 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6453 (recalcitrant) Biowin4 (Primary Survey Model) : 3.0703 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1850 Biowin6 (MITI Non-Linear Model): 0.0028 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3861 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): 0.00625 Pa (4.69E-005 mm Hg) Log Koa (Koawin est ): 7.667 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00048 Octanol/air (Koa) model: 1.14E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.017 Mackay model : 0.037 Octanol/air (Koa) model: 0.000911 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.4219 E-12 cm3/molecule-sec Half-Life = 0.286 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.430 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.439117 E-17 cm3/molecule-sec Half-Life = 2.610 Days (at 7E11 mol/cm3) Half-Life = 62.635 Hrs Fraction sorbed to airborne particulates (phi): 0.027 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2534 Log Koc: 3.404 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 = 3.259 (BCF = 1814) log Kow used: 5.14 (estimated) Volatilization from Water: Henry LC: 7.27E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 16.28 hours Half-Life from Model Lake : 328.1 hours (13.67 days) Removal In Wastewater Treatment: Total removal: 81.86 percent Total biodegradation: 0.70 percent Total sludge adsorption: 80.65 percent Total to Air: 0.50 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0631 6.18 1000 Water 3.17 4.32e+003 1000 Soil 75.8 8.64e+003 1000 Sediment 20.9 3.89e+004 0 Persistence Time: 5.48e+003 hr
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