2-Bromo-N-(4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phenyl)acetamide
c1cc(ccc1C(=O)ON2C(=O)CCC2=O)NC(=O)CBr
InChI=1S/C13H11BrN2O5/c14-7-10(17)15-9-3-1-8(2-4-9)13(20)21-16-11(18)5-6-12(16)19/h1-4H,5-7H2,(H,15,17)
HILSSQSNVVIMJC-UHFFFAOYSA-N
CSID:111492, http://www.chemspider.com/Chemical-Structure.111492.html (accessed 07:57, Mar 29, 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) = -0.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 580.43 (Adapted Stein & Brown method) Melting Pt (deg C): 250.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.49E-013 (Modified Grain method) Subcooled liquid VP: 2.38E-010 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): 768.3 log Kow used: -0.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15939 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.64E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.164E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.51 (KowWin est) Log Kaw used: -14.452 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.942 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7424 Biowin2 (Non-Linear Model) : 0.0222 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3891 (weeks-months) Biowin4 (Primary Survey Model) : 3.5762 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0007 Biowin6 (MITI Non-Linear Model): 0.0024 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0315 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): 3.17E-008 Pa (2.38E-010 mm Hg) Log Koa (Koawin est ): 13.942 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 94.5 Octanol/air (Koa) model: 21.5 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.0118 E-12 cm3/molecule-sec Half-Life = 0.356 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.277 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 : 221.3 Log Koc: 2.345 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.246E+003 L/mol-sec Kb Half-Life at pH 8: 2.720 minutes Kb Half-Life at pH 7: 27.205 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.51 (estimated) Volatilization from Water: Henry LC: 8.64E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.277E+013 hours (5.321E+011 days) Half-Life from Model Lake : 1.393E+014 hours (5.805E+012 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 7.6e-006 8.55 1000 Water 46.2 900 1000 Soil 53.7 1.8e+003 1000 Sediment 0.089 8.1e+003 0 Persistence Time: 975 hr
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