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2-[3-Allyl-1-(4-chlorophenyl)-2,5-dioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide
CCCOc1ccc(cc1)NC(=O)CC2C(=O)N(C(=O)N2CC=C)c3ccc(cc3)Cl
InChI=1S/C23H24ClN3O4/c1-3-13-26-20(22(29)27(23(26)30)18-9-5-16(24)6-10-18)15-21(28)25-17-7-11-19(12-8-17)31-14-4-2/h3,5-12,20H,1,4,13-15H2,2H3,(H,25,28)
ZLPKHQUJWIBHIT-UHFFFAOYSA-N
CSID:2252019, http://www.chemspider.com/Chemical-Structure.2252019.html (accessed 10:09, Apr 25, 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) = 3.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 671.58 (Adapted Stein & Brown method) Melting Pt (deg C): 292.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.01E-015 (Modified Grain method) Subcooled liquid VP: 9.58E-013 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): 2.47 log Kow used: 3.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.5998e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.00E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.378E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.32 (KowWin est) Log Kaw used: -14.087 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.407 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6968 Biowin2 (Non-Linear Model) : 0.4152 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9037 (months ) Biowin4 (Primary Survey Model) : 3.3274 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0203 Biowin6 (MITI Non-Linear Model): 0.0037 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8762 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): 1.28E-010 Pa (9.58E-013 mm Hg) Log Koa (Koawin est ): 17.407 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.35E+004 Octanol/air (Koa) model: 6.27E+004 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 = 74.0697 E-12 cm3/molecule-sec Half-Life = 0.144 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.733 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs 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 : 2.257E+004 Log Koc: 4.354 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 = 1.853 (BCF = 71.29) log Kow used: 3.32 (estimated) Volatilization from Water: Henry LC: 2E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.154E+012 hours (2.564E+011 days) Half-Life from Model Lake : 6.713E+013 hours (2.797E+012 days) Removal In Wastewater Treatment: Total removal: 9.54 percent Total biodegradation: 0.16 percent Total sludge adsorption: 9.39 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 0.00191 3.01 1000 Water 9.7 1.44e+003 1000 Soil 89.8 2.88e+003 1000 Sediment 0.531 1.3e+004 0 Persistence Time: 2.74e+003 hr
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