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2-Oxo-2-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}ethyl methacrylate
CC(=C)C(=O)OCC(=O)NCCN1CCNC1=O
InChI=1S/C11H17N3O4/c1-8(2)10(16)18-7-9(15)12-3-5-14-6-4-13-11(14)17/h1,3-7H2,2H3,(H,12,15)(H,13,17)
BMMZGRLRFPSWKY-UHFFFAOYSA-N
CSID:69002, http://www.chemspider.com/Chemical-Structure.69002.html (accessed 01:06, May 10, 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) = -0.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 457.88 (Adapted Stein & Brown method) Melting Pt (deg C): 192.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.4E-009 (Modified Grain method) Subcooled liquid VP: 3.13E-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): 3663 log Kow used: -0.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Methacrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.05E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.952E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.62 (KowWin est) Log Kaw used: -15.367 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.747 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0103 Biowin2 (Non-Linear Model) : 0.9979 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7210 (weeks-months) Biowin4 (Primary Survey Model) : 3.9138 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6236 Biowin6 (MITI Non-Linear Model): 0.5808 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0514 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): 4.17E-005 Pa (3.13E-007 mm Hg) Log Koa (Koawin est ): 14.747 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0719 Octanol/air (Koa) model: 137 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.722 Mackay model : 0.852 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.1961 E-12 cm3/molecule-sec Half-Life = 0.253 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.042 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 0.787 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 40.32 Log Koc: 1.605 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.900E-003 L/mol-sec Kb Half-Life at pH 8: 2.780 years Kb Half-Life at pH 7: 27.803 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.62 (estimated) Volatilization from Water: Henry LC: 1.05E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.909E+013 hours (3.712E+012 days) Half-Life from Model Lake : 9.719E+014 hours (4.05E+013 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 6.82e-010 4.86 1000 Water 46.3 900 1000 Soil 53.6 1.8e+003 1000 Sediment 0.089 8.1e+003 0 Persistence Time: 975 hr
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