Try beta.chemspider
2-(4,4-Dibenzyl-2,5-dioxo-1-imidazolidinyl)-N-(2,4-dichlorobenzyl)acetamide
c1ccc(cc1)CC2(C(=O)N(C(=O)N2)CC(=O)NCc3ccc(cc3Cl)Cl)Cc4ccccc4
InChI=1S/C26H23Cl2N3O3/c27-21-12-11-20(22(28)13-21)16-29-23(32)17-31-24(33)26(30-25(31)34,14-18-7-3-1-4-8-18)15-19-9-5-2-6-10-19/h1-13H,14-17H2,(H,29,32)(H,30,34)
LYZWIUVFIJVRFK-UHFFFAOYSA-N
CSID:10962334, http://www.chemspider.com/Chemical-Structure.10962334.html (accessed 05:30, Jul 9, 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) = 5.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 754.97 (Adapted Stein & Brown method) Melting Pt (deg C): 331.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.85E-018 (Modified Grain method) Subcooled liquid VP: 5.51E-015 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): 0.01451 log Kow used: 5.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00039663 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.17E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.328E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.52 (KowWin est) Log Kaw used: -15.320 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.840 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5381 Biowin2 (Non-Linear Model) : 0.0870 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3170 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7256 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5689 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8997 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): 7.35E-013 Pa (5.51E-015 mm Hg) Log Koa (Koawin est ): 20.840 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.08E+006 Octanol/air (Koa) model: 1.7E+008 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 = 32.3523 E-12 cm3/molecule-sec Half-Life = 0.331 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.967 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 : 2.54E+006 Log Koc: 6.405 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 = 3.553 (BCF = 3569) log Kow used: 5.52 (estimated) Volatilization from Water: Henry LC: 1.17E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.115E+014 hours (4.646E+012 days) Half-Life from Model Lake : 1.216E+015 hours (5.068E+013 days) Removal In Wastewater Treatment: Total removal: 88.53 percent Total biodegradation: 0.75 percent Total sludge adsorption: 87.78 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 0.00536 7.93 1000 Water 2.02 4.32e+003 1000 Soil 69 8.64e+003 1000 Sediment 29 3.89e+004 0 Persistence Time: 1.05e+004 hr
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