Try beta.chemspider
2-(2,4-Dibromophenoxy)acetamide
c1cc(c(cc1Br)Br)OCC(=O)N
InChI=1S/C8H7Br2NO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H2,11,12)
FYPOAWJNUWQTCA-UHFFFAOYSA-N
CSID:319609, http://www.chemspider.com/Chemical-Structure.319609.html (accessed 03:14, Jul 15, 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) = 2.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 383.01 (Adapted Stein & Brown method) Melting Pt (deg C): 155.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.01E-006 (Modified Grain method) Subcooled liquid VP: 2.14E-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): 107.8 log Kow used: 2.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2308.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.44E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.809E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.35 (KowWin est) Log Kaw used: -8.653 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.003 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7218 Biowin2 (Non-Linear Model) : 0.5511 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1321 (months ) Biowin4 (Primary Survey Model) : 3.3775 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5225 Biowin6 (MITI Non-Linear Model): 0.4035 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1859 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): 0.00285 Pa (2.14E-005 mm Hg) Log Koa (Koawin est ): 11.003 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00105 Octanol/air (Koa) model: 0.0247 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0366 Mackay model : 0.0776 Octanol/air (Koa) model: 0.664 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.0396 E-12 cm3/molecule-sec Half-Life = 1.330 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.965 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0571 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 256.2 Log Koc: 2.409 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 = 1.107 (BCF = 12.79) log Kow used: 2.35 (estimated) Volatilization from Water: Henry LC: 5.44E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.892E+007 hours (7.882E+005 days) Half-Life from Model Lake : 2.064E+008 hours (8.599E+006 days) Removal In Wastewater Treatment: Total removal: 2.73 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.64 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 0.000347 31.9 1000 Water 16.7 1.44e+003 1000 Soil 83.2 2.88e+003 1000 Sediment 0.109 1.3e+004 0 Persistence Time: 2.23e+003 hr
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