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N-[2-(2,4-Dichlorophenyl)ethyl]-2-(4-isobutyl-2,5-dioxo-1-imidazolidinyl)acetamide
CC(C)CC1C(=O)N(C(=O)N1)CC(=O)NCCc2ccc(cc2Cl)Cl
InChI=1S/C17H21Cl2N3O3/c1-10(2)7-14-16(24)22(17(25)21-14)9-15(23)20-6-5-11-3-4-12(18)8-13(11)19/h3-4,8,10,14H,5-7,9H2,1-2H3,(H,20,23)(H,21,25)
OUZJXWAQSIAMDI-UHFFFAOYSA-N
CSID:4012915, http://www.chemspider.com/Chemical-Structure.4012915.html (accessed 22:14, Jun 3, 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) = 3.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 620.60 (Adapted Stein & Brown method) Melting Pt (deg C): 268.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.45E-014 (Modified Grain method) Subcooled liquid VP: 2.13E-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): 3.497 log Kow used: 3.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.6394 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.19E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.468E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.54 (KowWin est) Log Kaw used: -12.766 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.306 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4636 Biowin2 (Non-Linear Model) : 0.0377 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8033 (months ) Biowin4 (Primary Survey Model) : 3.0966 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2183 Biowin6 (MITI Non-Linear Model): 0.0011 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1520 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): 2.84E-009 Pa (2.13E-011 mm Hg) Log Koa (Koawin est ): 16.306 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.06E+003 Octanol/air (Koa) model: 4.97E+003 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 = 29.3038 E-12 cm3/molecule-sec Half-Life = 0.365 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.380 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 : 9258 Log Koc: 3.967 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 = 2.029 (BCF = 107) log Kow used: 3.54 (estimated) Volatilization from Water: Henry LC: 4.19E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.746E+011 hours (1.144E+010 days) Half-Life from Model Lake : 2.996E+012 hours (1.248E+011 days) Removal In Wastewater Treatment: Total removal: 13.97 percent Total biodegradation: 0.19 percent Total sludge adsorption: 13.78 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 0.00156 8.76 1000 Water 9.16 1.44e+003 1000 Soil 90 2.88e+003 1000 Sediment 0.873 1.3e+004 0 Persistence Time: 2.82e+003 hr
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