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2-(2,4-Dibromophenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
COCCOc1cccc(c1)NC(=O)COc2ccc(cc2Br)Br
InChI=1S/C17H17Br2NO4/c1-22-7-8-23-14-4-2-3-13(10-14)20-17(21)11-24-16-6-5-12(18)9-15(16)19/h2-6,9-10H,7-8,11H2,1H3,(H,20,21)
ZLZCDKWJZQVIST-UHFFFAOYSA-N
CSID:20692934, http://www.chemspider.com/Chemical-Structure.20692934.html (accessed 08:13, Apr 26, 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) = 4.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 522.46 (Adapted Stein & Brown method) Melting Pt (deg C): 223.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.6E-011 (Modified Grain method) Subcooled liquid VP: 7.38E-009 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): 0.2213 log Kow used: 4.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.1517 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.76E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.529E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.41 (KowWin est) Log Kaw used: -11.948 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.358 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4349 Biowin2 (Non-Linear Model) : 0.0428 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7334 (recalcitrant) Biowin4 (Primary Survey Model) : 3.2282 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4045 Biowin6 (MITI Non-Linear Model): 0.1042 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3026 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): 9.84E-007 Pa (7.38E-009 mm Hg) Log Koa (Koawin est ): 16.358 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.05 Octanol/air (Koa) model: 5.6E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.991 Mackay model : 0.996 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 157.8215 E-12 cm3/molecule-sec Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.813 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 438.4 Log Koc: 2.642 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 = 2.700 (BCF = 500.7) log Kow used: 4.41 (estimated) Volatilization from Water: Henry LC: 2.76E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.545E+010 hours (1.894E+009 days) Half-Life from Model Lake : 4.959E+011 hours (2.066E+010 days) Removal In Wastewater Treatment: Total removal: 51.22 percent Total biodegradation: 0.49 percent Total sludge adsorption: 50.73 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 7.88e-006 1.63 1000 Water 3.67 4.32e+003 1000 Soil 91.9 8.64e+003 1000 Sediment 4.48 3.89e+004 0 Persistence Time: 8.48e+003 hr
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