Try beta.chemspider
N-(2,4-Dichlorobenzyl)-2-(4-isobutyl-2,5-dioxo-1-imidazolidinyl)acetamide
CC(C)CC1C(=O)N(C(=O)N1)CC(=O)NCc2ccc(cc2Cl)Cl
InChI=1S/C16H19Cl2N3O3/c1-9(2)5-13-15(23)21(16(24)20-13)8-14(22)19-7-10-3-4-11(17)6-12(10)18/h3-4,6,9,13H,5,7-8H2,1-2H3,(H,19,22)(H,20,24)
JNTCOKWPOKJQDA-UHFFFAOYSA-N
CSID:3984941, http://www.chemspider.com/Chemical-Structure.3984941.html (accessed 05:32, 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) = 3.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 608.99 (Adapted Stein & Brown method) Melting Pt (deg C): 263.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.05E-013 (Modified Grain method) Subcooled liquid VP: 4.29E-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): 11.2 log Kow used: 3.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.1219 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.16E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.592E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.05 (KowWin est) Log Kaw used: -12.889 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.939 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4156 Biowin2 (Non-Linear Model) : 0.0262 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9091 (months ) Biowin4 (Primary Survey Model) : 3.1854 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2260 Biowin6 (MITI Non-Linear Model): 0.0010 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0635 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): 5.72E-009 Pa (4.29E-011 mm Hg) Log Koa (Koawin est ): 15.939 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 524 Octanol/air (Koa) model: 2.13E+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 = 27.2742 E-12 cm3/molecule-sec Half-Life = 0.392 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.706 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 : 5019 Log Koc: 3.701 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 = 1.651 (BCF = 44.79) log Kow used: 3.05 (estimated) Volatilization from Water: Henry LC: 3.16E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.575E+011 hours (1.489E+010 days) Half-Life from Model Lake : 3.9E+012 hours (1.625E+011 days) Removal In Wastewater Treatment: Total removal: 6.14 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.01 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 0.000596 9.41 1000 Water 10.5 1.44e+003 1000 Soil 89.2 2.88e+003 1000 Sediment 0.296 1.3e+004 0 Persistence Time: 2.7e+003 hr
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