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4-Chloro-N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-methoxybenzyl)benzamide
COc1ccc(cc1)CN(C2CC(=O)N(C2=O)c3ccc(cc3)Cl)C(=O)c4ccc(cc4)Cl
InChI=1S/C25H20Cl2N2O4/c1-33-21-12-2-16(3-13-21)15-28(24(31)17-4-6-18(26)7-5-17)22-14-23(30)29(25(22)32)20-10-8-19(27)9-11-20/h2-13,22H,14-15H2,1H3
OOQSIBURTSAGOM-UHFFFAOYSA-N
CSID:2757544, http://www.chemspider.com/Chemical-Structure.2757544.html (accessed 00:50, May 1, 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) = 3.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 690.51 (Adapted Stein & Brown method) Melting Pt (deg C): 301.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.44E-016 (Modified Grain method) Subcooled liquid VP: 3E-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): 2.236 log Kow used: 3.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.013411 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.89E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.940E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.06 (KowWin est) Log Kaw used: -13.393 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.453 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4947 Biowin2 (Non-Linear Model) : 0.0499 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6055 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1022 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3161 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6710 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): 4E-011 Pa (3E-013 mm Hg) Log Koa (Koawin est ): 16.453 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.5E+004 Octanol/air (Koa) model: 6.97E+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 = 67.3717 E-12 cm3/molecule-sec Half-Life = 0.159 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.905 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 : 3.71E+004 Log Koc: 4.569 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 = 1.655 (BCF = 45.19) log Kow used: 3.06 (estimated) Volatilization from Water: Henry LC: 9.89E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.302E+012 hours (5.423E+010 days) Half-Life from Model Lake : 1.42E+013 hours (5.916E+011 days) Removal In Wastewater Treatment: Total removal: 6.23 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.11 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 0.01 3.81 1000 Water 7.13 4.32e+003 1000 Soil 92.6 8.64e+003 1000 Sediment 0.234 3.89e+004 0 Persistence Time: 5.67e+003 hr
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