2,3,7,8-Tetrachlorooxanthrene
c1c2c(cc(c1Cl)Cl)Oc3cc(c(cc3O2)Cl)Cl
InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
HGUFODBRKLSHSI-UHFFFAOYSA-N
CSID:14865, http://www.chemspider.com/Chemical-Structure.14865.html (accessed 12:15, Mar 19, 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) = 6.92 Log Kow (Exper. database match) = 6.80 Exper. Ref: Shiu,WY et al. (1988) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 379.17 (Adapted Stein & Brown method) Melting Pt (deg C): 141.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.95E-008 (Modified Grain method) MP (exp database): 305 deg C VP (exp database): 1.50E-09 mm Hg at 25 deg C Subcooled liquid VP: 8.82E-007 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): 0.001103 log Kow used: 6.80 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 0.0002 mg/L (25 deg C) Exper. Ref: SHIU,WY ET AL. (1988) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0037973 mg/L Wat Sol (Exper. database match) = 0.00 Exper. Ref: SHIU,WY ET AL. (1988) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.53E-006 atm-m3/mole Group Method: 3.54E-005 atm-m3/mole Exper Database: 5.00E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.490E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.80 (exp database) Log Kaw used: -2.689 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.489 Log Koa (experimental database): 10.050 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1284 Biowin2 (Non-Linear Model) : 0.0059 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5450 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8761 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2023 Biowin6 (MITI Non-Linear Model): 0.0108 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7987 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): 0.000118 Pa (8.82E-007 mm Hg) Log Koa (Exp database): 10.050 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0255 Octanol/air (Koa) model: 0.00275 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.48 Mackay model : 0.671 Octanol/air (Koa) model: 0.181 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.7530 E-12 cm3/molecule-sec Half-Life = 14.204 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.575 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.463E+005 Log Koc: 5.165 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 = 4.536 (BCF = 3.436e+004) log Kow used: 6.80 (expkow database) Volatilization from Water: Henry LC: 5E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 22.84 hours Half-Life from Model Lake : 399.7 hours (16.65 days) Removal In Wastewater Treatment: Total removal: 93.73 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.95 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 0.0748 341 1000 Water 0.745 4.32e+003 1000 Soil 51.1 8.64e+003 1000 Sediment 48.1 3.89e+004 0 Persistence Time: 1.3e+004 hr
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