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N-(2-Biphenylyl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide
c1ccc(cc1)c2ccccc2NC(=O)CN3C(=O)c4ccccc4C3=O
InChI=1S/C22H16N2O3/c25-20(14-24-21(26)17-11-4-5-12-18(17)22(24)27)23-19-13-7-6-10-16(19)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25)
FVQPFTYIXVGFJG-UHFFFAOYSA-N
CSID:883971, http://www.chemspider.com/Chemical-Structure.883971.html (accessed 13:18, May 19, 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) = 2.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 662.08 (Adapted Stein & Brown method) Melting Pt (deg C): 288.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.05E-015 (Modified Grain method) Subcooled liquid VP: 1.71E-012 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): 16.27 log Kow used: 2.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.40314 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.88E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.908E-017 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.98 (KowWin est) Log Kaw used: -12.929 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.909 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9161 Biowin2 (Non-Linear Model) : 0.9197 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3794 (weeks-months) Biowin4 (Primary Survey Model) : 3.5439 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0652 Biowin6 (MITI Non-Linear Model): 0.0075 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7282 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): 2.28E-010 Pa (1.71E-012 mm Hg) Log Koa (Koawin est ): 15.909 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.32E+004 Octanol/air (Koa) model: 1.99E+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 = 30.8789 E-12 cm3/molecule-sec Half-Life = 0.346 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.157 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 : 3176 Log Koc: 3.502 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 = 1.592 (BCF = 39.1) log Kow used: 2.98 (estimated) Volatilization from Water: Henry LC: 2.88E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.838E+011 hours (1.599E+010 days) Half-Life from Model Lake : 4.187E+012 hours (1.744E+011 days) Removal In Wastewater Treatment: Total removal: 5.52 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.40 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 0.0218 8.31 1000 Water 13.3 900 1000 Soil 86.4 1.8e+003 1000 Sediment 0.291 8.1e+003 0 Persistence Time: 1.7e+003 hr
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