6-Amino-2,4-dichloro-3-ethoxyphenol
Clc1c(O)c(cc(Cl)c1OCC)N CopyCopied
InChI=1S/C8H9Cl2NO2/c1-2-13-8-4(9)3-5(11)7(12)6(8)10/h3,12H,2,11H2,1H3 CopyCopied
FEWGMSLAFHTDCH-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) = 2.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 336.26 (Adapted Stein & Brown method) Melting Pt (deg C): 123.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.2E-006 (Modified Grain method) Subcooled liquid VP: 7.92E-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): 267.7 log Kow used: 2.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 479.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.54E-012 atm-m3/mole Group Method: 2.13E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.950E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.46 (KowWin est) Log Kaw used: -9.457 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.917 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2910 Biowin2 (Non-Linear Model) : 0.0509 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1585 (months ) Biowin4 (Primary Survey Model) : 3.2051 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2236 Biowin6 (MITI Non-Linear Model): 0.0403 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1366 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): 0.0106 Pa (7.92E-005 mm Hg) Log Koa (Koawin est ): 11.917 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000284 Octanol/air (Koa) model: 0.203 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0102 Mackay model : 0.0222 Octanol/air (Koa) model: 0.942 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.0354 E-12 cm3/molecule-sec Half-Life = 0.281 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.375 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0162 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 271.2 Log Koc: 2.433 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 = 0.792 (BCF = 6.191) log Kow used: 2.46 (estimated) Volatilization from Water: Henry LC: 2.13E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 4.096E+006 hours (1.707E+005 days) Half-Life from Model Lake : 4.469E+007 hours (1.862E+006 days) Removal In Wastewater Treatment: Total removal: 2.99 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.89 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 0.00125 6.75 1000 Water 15.2 1.44e+003 1000 Soil 84.7 2.88e+003 1000 Sediment 0.121 1.3e+004 0 Persistence Time: 2.32e+003 hr
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