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3,3'-(4,4-Dimethyl-2,5-dioxo-1,3-imidazolidinediyl)dipropanoic acid
CC1(C(=O)N(C(=O)N1CCC(=O)O)CCC(=O)O)C
InChI=1S/C11H16N2O6/c1-11(2)9(18)12(5-3-7(14)15)10(19)13(11)6-4-8(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17)
LQGSKDNLLJIRAI-UHFFFAOYSA-N
CSID:4954696, http://www.chemspider.com/Chemical-Structure.4954696.html (accessed 14:50, May 21, 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) = -0.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 512.71 (Adapted Stein & Brown method) Melting Pt (deg C): 218.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.12E-010 (Modified Grain method) Subcooled liquid VP: 1.31E-008 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): 5576 log Kow used: -0.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1077.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.30E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.196E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.95 (KowWin est) Log Kaw used: -16.275 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.325 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5794 Biowin2 (Non-Linear Model) : 0.2151 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1146 (weeks ) Biowin4 (Primary Survey Model) : 4.0726 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5306 Biowin6 (MITI Non-Linear Model): 0.2872 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8202 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): 1.75E-006 Pa (1.31E-008 mm Hg) Log Koa (Koawin est ): 15.325 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.72 Octanol/air (Koa) model: 519 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.984 Mackay model : 0.993 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.2444 E-12 cm3/molecule-sec Half-Life = 0.702 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.420 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.988 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.91 Log Koc: 1.379 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 = 0.500 (BCF = 3.162) log Kow used: -0.95 (estimated) Volatilization from Water: Henry LC: 1.3E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.431E+014 hours (3.096E+013 days) Half-Life from Model Lake : 8.107E+015 hours (3.378E+014 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 3.03e-009 16.8 1000 Water 38.9 360 1000 Soil 61 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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