5-(4-Methylphenyl)-5-phenyl-2,4-imidazolidinedione
Cc1ccc(cc1)C2(C(=O)NC(=O)N2)c3ccccc3
InChI=1S/C16H14N2O2/c1-11-7-9-13(10-8-11)16(12-5-3-2-4-6-12)14(19)17-15(20)18-16/h2-10H,1H3,(H2,17,18,19,20)
WPAPSGQWYNPWCZ-UHFFFAOYSA-N
CSID:83358, http://www.chemspider.com/Chemical-Structure.83358.html (accessed 02:31, Apr 20, 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) = 2.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 523.42 (Adapted Stein & Brown method) Melting Pt (deg C): 223.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.23E-011 (Modified Grain method) Subcooled liquid VP: 6.98E-009 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): 93.23 log Kow used: 2.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.67922 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.966E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.71 (KowWin est) Log Kaw used: -9.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.045 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6196 Biowin2 (Non-Linear Model) : 0.4701 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3457 (weeks-months) Biowin4 (Primary Survey Model) : 3.2464 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1029 Biowin6 (MITI Non-Linear Model): 0.0331 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5106 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): 9.31E-007 Pa (6.98E-009 mm Hg) Log Koa (Koawin est ): 12.045 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.22 Octanol/air (Koa) model: 0.272 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.991 Mackay model : 0.996 Octanol/air (Koa) model: 0.956 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.5384 E-12 cm3/molecule-sec Half-Life = 0.853 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.237 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.994 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7657 Log Koc: 3.884 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 = 1.386 (BCF = 24.3) log Kow used: 2.71 (estimated) Volatilization from Water: Henry LC: 1.13E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.455E+007 hours (3.523E+006 days) Half-Life from Model Lake : 9.224E+008 hours (3.843E+007 days) Removal In Wastewater Treatment: Total removal: 3.86 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.75 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 0.0161 20.5 1000 Water 14.5 900 1000 Soil 85.3 1.8e+003 1000 Sediment 0.178 8.1e+003 0 Persistence Time: 1.69e+003 hr
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