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N-(2-Chloro-4-methylphenyl)-2-(2,5-dioxo-4,4-dipropyl-1-imidazolidinyl)acetamide
CCCC1(C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2Cl)C)CCC
InChI=1S/C18H24ClN3O3/c1-4-8-18(9-5-2)16(24)22(17(25)21-18)11-15(23)20-14-7-6-12(3)10-13(14)19/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,20,23)(H,21,25)
LVXMMWFWJAQQOV-UHFFFAOYSA-N
CSID:1841569, http://www.chemspider.com/Chemical-Structure.1841569.html (accessed 22:40, May 7, 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) = 2.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 614.38 (Adapted Stein & Brown method) Melting Pt (deg C): 266.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.05E-014 (Modified Grain method) Subcooled liquid VP: 3.1E-011 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): 20.2 log Kow used: 2.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.1073 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.58E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.680E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.80 (KowWin est) Log Kaw used: -11.977 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.777 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4718 Biowin2 (Non-Linear Model) : 0.0656 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8429 (months ) Biowin4 (Primary Survey Model) : 3.1380 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1381 Biowin6 (MITI Non-Linear Model): 0.0160 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1556 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): 4.13E-009 Pa (3.1E-011 mm Hg) Log Koa (Koawin est ): 14.777 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 726 Octanol/air (Koa) model: 147 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.0451 E-12 cm3/molecule-sec Half-Life = 0.508 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.099 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2191 Log Koc: 3.341 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 = 1.455 (BCF = 28.53) log Kow used: 2.80 (estimated) Volatilization from Water: Henry LC: 2.58E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.341E+010 hours (1.809E+009 days) Half-Life from Model Lake : 4.735E+011 hours (1.973E+010 days) Removal In Wastewater Treatment: Total removal: 4.31 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.20 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 0.00694 12.2 1000 Water 12 1.44e+003 1000 Soil 87.8 2.88e+003 1000 Sediment 0.19 1.3e+004 0 Persistence Time: 2.54e+003 hr
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