4-Chloro-2-(3,5-dichlorophenoxy)phenol
Clc2cc(Oc1cc(Cl)ccc1O)cc(Cl)c2 CopyCopied
InChI=1S/C12H7Cl3O2/c13-7-1-2-11(16)12(6-7)17-10-4-8(14)3-9(15)5-10/h1-6,16H CopyCopied
VJOWPKXOGBUFSK-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 373.62 (Adapted Stein & Brown method) Melting Pt (deg C): 136.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.45E-007 (Modified Grain method) Subcooled liquid VP: 8.61E-006 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): 5.593 log Kow used: 4.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.2998 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.99E-009 atm-m3/mole Group Method: 2.13E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.394E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.66 (KowWin est) Log Kaw used: -6.690 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.350 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3102 Biowin2 (Non-Linear Model) : 0.0181 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9378 (months ) Biowin4 (Primary Survey Model) : 3.0508 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1780 Biowin6 (MITI Non-Linear Model): 0.0187 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6846 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): 0.00115 Pa (8.61E-006 mm Hg) Log Koa (Koawin est ): 11.350 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00261 Octanol/air (Koa) model: 0.055 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0862 Mackay model : 0.173 Octanol/air (Koa) model: 0.815 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3019 E-12 cm3/molecule-sec Half-Life = 1.288 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.460 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.13 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.804E+004 Log Koc: 4.256 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 = 2.491 (BCF = 309.4) log Kow used: 4.66 (estimated) Volatilization from Water: Henry LC: 2.13E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.677E+004 hours (1949 days) Half-Life from Model Lake : 5.104E+005 hours (2.127E+004 days) Removal In Wastewater Treatment: Total removal: 64.10 percent Total biodegradation: 0.58 percent Total sludge adsorption: 63.52 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0811 30.9 1000 Water 7.86 1.44e+003 1000 Soil 80.8 2.88e+003 1000 Sediment 11.2 1.3e+004 0 Persistence Time: 2.89e+003 hr
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