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4-Chloro-N-(4-chlorobenzyl)-N-[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]benzamide
COc1ccc(cc1)N2C(=O)CC(C2=O)N(Cc3ccc(cc3)Cl)C(=O)c4ccc(cc4)Cl
InChI=1S/C25H20Cl2N2O4/c1-33-21-12-10-20(11-13-21)29-23(30)14-22(25(29)32)28(15-16-2-6-18(26)7-3-16)24(31)17-4-8-19(27)9-5-17/h2-13,22H,14-15H2,1H3
HICZWTLIEZFESL-UHFFFAOYSA-N
CSID:3473233, http://www.chemspider.com/Chemical-Structure.3473233.html (accessed 15:41, May 21, 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 = 50.4680 E-12 cm3/molecule-sec Half-Life = 0.212 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.543 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 0.0106 5.09 1000 Water 7 4.32e+003 1000 Soil 92.8 8.64e+003 1000 Sediment 0.23 3.89e+004 0 Persistence Time: 5.84e+003 hr
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