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Methyl [(2,5-dioxo-1-pyrrolidinyl)oxy]acetate
COC(=O)CON1C(=O)CCC1=O
InChI=1S/C7H9NO5/c1-12-7(11)4-13-8-5(9)2-3-6(8)10/h2-4H2,1H3
SLWJWKNLSZWMSF-UHFFFAOYSA-N
CSID:117532, http://www.chemspider.com/Chemical-Structure.117532.html (accessed 05:04, Apr 27, 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) = -1.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 374.48 (Adapted Stein & Brown method) Melting Pt (deg C): 145.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.07E-006 (Modified Grain method) Subcooled liquid VP: 3.44E-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): 1e+006 log Kow used: -1.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.5697e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.74E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.097E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.64 (KowWin est) Log Kaw used: -7.951 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.311 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8326 Biowin2 (Non-Linear Model) : 0.9882 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9258 (weeks ) Biowin4 (Primary Survey Model) : 3.8067 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5884 Biowin6 (MITI Non-Linear Model): 0.6203 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7143 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00459 Pa (3.44E-005 mm Hg) Log Koa (Koawin est ): 6.311 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000654 Octanol/air (Koa) model: 5.02E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0231 Mackay model : 0.0497 Octanol/air (Koa) model: 4.02E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.7666 E-12 cm3/molecule-sec Half-Life = 0.570 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.839 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0364 (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]: Total Kb for pH > 8 at 25 deg C : 2.279E+000 L/mol-sec Kb Half-Life at pH 8: 3.520 days Kb Half-Life at pH 7: 35.195 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -1.64 (estimated) Volatilization from Water: Henry LC: 2.74E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.923E+006 hours (1.218E+005 days) Half-Life from Model Lake : 3.189E+007 hours (1.329E+006 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.00661 13.7 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0714 3.24e+003 0 Persistence Time: 577 hr
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