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2-(3-Chloro-2-oxopropyl)-1H-isoindole-1,3(2H)-dione
c1ccc2c(c1)C(=O)N(C2=O)CC(=O)CCl
InChI=1S/C11H8ClNO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4H,5-6H2
GUEXBHONHJVHTM-UHFFFAOYSA-N
CSID:194406, http://www.chemspider.com/Chemical-Structure.194406.html (accessed 01:53, Jul 4, 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) = 1.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 448.81 (Adapted Stein & Brown method) Melting Pt (deg C): 188.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.02E-008 (Modified Grain method) Subcooled liquid VP: 5.26E-007 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): 1576 log Kow used: 1.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1871.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.06E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.024E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.46 (KowWin est) Log Kaw used: -8.363 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.823 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5298 Biowin2 (Non-Linear Model) : 0.0647 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4783 (weeks-months) Biowin4 (Primary Survey Model) : 3.3820 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2557 Biowin6 (MITI Non-Linear Model): 0.0573 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0998 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): 7.01E-005 Pa (5.26E-007 mm Hg) Log Koa (Koawin est ): 9.823 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0428 Octanol/air (Koa) model: 0.00163 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.607 Mackay model : 0.774 Octanol/air (Koa) model: 0.116 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.8874 E-12 cm3/molecule-sec Half-Life = 0.566 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.796 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.69 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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 = 0.422 (BCF = 2.642) log Kow used: 1.46 (estimated) Volatilization from Water: Henry LC: 1.06E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.515E+006 hours (3.548E+005 days) Half-Life from Model Lake : 9.289E+007 hours (3.87E+006 days) Removal In Wastewater Treatment: Total removal: 1.96 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.87 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 0.00381 13.6 1000 Water 33.7 900 1000 Soil 66.2 1.8e+003 1000 Sediment 0.0833 8.1e+003 0 Persistence Time: 1.17e+003 hr
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