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2-Chloro-N-(3-chloro-4-methoxyphenyl)acetamide
COc1ccc(cc1Cl)NC(=O)CCl
InChI=1S/C9H9Cl2NO2/c1-14-8-3-2-6(4-7(8)11)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
GKEFUXJDYQAQTF-UHFFFAOYSA-N
CSID:1795784, http://www.chemspider.com/Chemical-Structure.1795784.html (accessed 07:51, Apr 27, 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) = 2.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 379.37 (Adapted Stein & Brown method) Melting Pt (deg C): 139.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.84E-006 (Modified Grain method) Subcooled liquid VP: 2.62E-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): 255.3 log Kow used: 2.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 123.93 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.53E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.220E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.41 (KowWin est) Log Kaw used: -8.409 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.819 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6844 Biowin2 (Non-Linear Model) : 0.6805 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1898 (months ) Biowin4 (Primary Survey Model) : 3.5266 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4193 Biowin6 (MITI Non-Linear Model): 0.1118 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3106 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): 0.00349 Pa (2.62E-005 mm Hg) Log Koa (Koawin est ): 10.819 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000859 Octanol/air (Koa) model: 0.0162 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0301 Mackay model : 0.0643 Octanol/air (Koa) model: 0.564 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.6512 E-12 cm3/molecule-sec Half-Life = 1.236 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.836 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0472 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 86.66 Log Koc: 1.938 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 = 1.152 (BCF = 14.2) log Kow used: 2.41 (estimated) Volatilization from Water: Henry LC: 9.53E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.399E+006 hours (3.916E+005 days) Half-Life from Model Lake : 1.025E+008 hours (4.272E+006 days) Removal In Wastewater Treatment: Total removal: 2.86 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.76 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 0.000588 29.7 1000 Water 15.8 1.44e+003 1000 Soil 84.1 2.88e+003 1000 Sediment 0.115 1.3e+004 0 Persistence Time: 2.29e+003 hr
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