2-[3-Isopropyl-1-(4-methoxyphenyl)-2,5-dioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
CC(C)N1C(C(=O)N(C1=O)c2ccc(cc2)OC)CC(=O)Nc3ccc(cc3)OC
InChI=1S/C22H25N3O5/c1-14(2)24-19(13-20(26)23-15-5-9-17(29-3)10-6-15)21(27)25(22(24)28)16-7-11-18(30-4)12-8-16/h5-12,14,19H,13H2,1-4H3,(H,23,26)
UJNISMBOKCZYJJ-UHFFFAOYSA-N
CSID:2250524, http://www.chemspider.com/Chemical-Structure.2250524.html (accessed 01:23, Apr 19, 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) = 1.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 647.21 (Adapted Stein & Brown method) Melting Pt (deg C): 281.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.2E-015 (Modified Grain method) Subcooled liquid VP: 4.24E-012 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): 233.6 log Kow used: 1.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.14606 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.22E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.437E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.23 (KowWin est) Log Kaw used: -15.302 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.532 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0256 Biowin2 (Non-Linear Model) : 0.9873 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1194 (months ) Biowin4 (Primary Survey Model) : 3.6138 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0837 Biowin6 (MITI Non-Linear Model): 0.0101 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5579 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): 5.65E-010 Pa (4.24E-012 mm Hg) Log Koa (Koawin est ): 16.532 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.31E+003 Octanol/air (Koa) model: 8.36E+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 = 51.0679 E-12 cm3/molecule-sec Half-Life = 0.209 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.513 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 : 2496 Log Koc: 3.397 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 = 0.243 (BCF = 1.752) log Kow used: 1.23 (estimated) Volatilization from Water: Henry LC: 1.22E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.735E+013 hours (4.056E+012 days) Half-Life from Model Lake : 1.062E+015 hours (4.425E+013 days) Removal In Wastewater Treatment: Total removal: 1.91 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.82 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 5.18e-005 5.03 1000 Water 39.9 1.44e+003 1000 Soil 60 2.88e+003 1000 Sediment 0.0908 1.3e+004 0 Persistence Time: 1.36e+003 hr
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