Try beta.chemspider
1-{[3-(2-Furyl)acryloyl]oxy}-2,5-pyrrolidinedione
c1cc(oc1)C=CC(=O)ON2C(=O)CCC2=O
InChI=1S/C11H9NO5/c13-9-4-5-10(14)12(9)17-11(15)6-3-8-2-1-7-16-8/h1-3,6-7H,4-5H2
UPLWNSNBYXAOHH-UHFFFAOYSA-N
CSID:4321501, http://www.chemspider.com/Chemical-Structure.4321501.html (accessed 20:04, Jul 6, 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) = -0.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 430.00 (Adapted Stein & Brown method) Melting Pt (deg C): 179.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.75E-008 (Modified Grain method) Subcooled liquid VP: 1.53E-006 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): 1.328e+005 log Kow used: -0.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 95611 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.79E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.739E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.78 (KowWin est) Log Kaw used: -8.497 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.717 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6356 Biowin2 (Non-Linear Model) : 0.4180 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6794 (weeks-months) Biowin4 (Primary Survey Model) : 3.5084 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0889 Biowin6 (MITI Non-Linear Model): 0.0331 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1627 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): 0.000204 Pa (1.53E-006 mm Hg) Log Koa (Koawin est ): 7.717 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0147 Octanol/air (Koa) model: 1.28E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.347 Mackay model : 0.541 Octanol/air (Koa) model: 0.00102 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 76.3132 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 78.9732 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.682 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.625 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Trans-] Half-Life = 1.091 Days (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer] Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.444 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 138.8 Log Koc: 2.142 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.274E+003 L/mol-sec Kb Half-Life at pH 8: 9.067 minutes Kb Half-Life at pH 7: 1.511 hours Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.78 (estimated) Volatilization from Water: Henry LC: 7.79E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.153E+007 hours (4.803E+005 days) Half-Life from Model Lake : 1.257E+008 hours (5.239E+006 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 0.00184 2.98 1000 Water 46.4 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0892 8.1e+003 0 Persistence Time: 969 hr
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