N-(3-Chlorophenyl)-3-{[(2,4-dichlorophenoxy)acetyl]amino}-1-benzofuran-2-carboxamide
Clc4ccc(OCC(=O)Nc1c3ccccc3oc1C(=O)Nc2cccc(Cl)c2)c(Cl)c4 CopyCopied
InChI=1S/C23H15Cl3N2O4/c24-13-4-3-5-15(10-13)27-23(30)22-21(16-6-1-2-7-18(16)32-22)28-20(29)12-31-19-9-8-14(25)11-17(19)26/h1-11H,12H2,(H,27,30)(H,28,29) CopyCopied
WRLCNMMJTVIELY-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) = 6.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 700.97 (Adapted Stein & Brown method) Melting Pt (deg C): 306.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.11E-016 (Modified Grain method) Subcooled liquid VP: 1.57E-013 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): 0.005489 log Kow used: 6.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00046352 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.69E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.303E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.07 (KowWin est) Log Kaw used: -12.959 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.029 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5193 Biowin2 (Non-Linear Model) : 0.0862 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3306 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1331 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1380 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.3522 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): 2.09E-011 Pa (1.57E-013 mm Hg) Log Koa (Koawin est ): 19.029 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.43E+005 Octanol/air (Koa) model: 2.62E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.0404 E-12 cm3/molecule-sec Half-Life = 0.188 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.250 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.407E+005 Log Koc: 5.381 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 = 3.972 (BCF = 9365) log Kow used: 6.07 (estimated) Volatilization from Water: Henry LC: 2.69E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.817E+011 hours (2.007E+010 days) Half-Life from Model Lake : 5.255E+012 hours (2.189E+011 days) Removal In Wastewater Treatment: Total removal: 92.43 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.66 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 0.012 4.5 1000 Water 1.32 4.32e+003 1000 Soil 52.5 8.64e+003 1000 Sediment 46.2 3.89e+004 0 Persistence Time: 1.06e+004 hr
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