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2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methylphenyl)-3-phenylpropanamide
Cc1ccccc1NC(=O)C(Cc2ccccc2)N3C(=O)c4ccccc4C3=O
InChI=1S/C24H20N2O3/c1-16-9-5-8-14-20(16)25-22(27)21(15-17-10-3-2-4-11-17)26-23(28)18-12-6-7-13-19(18)24(26)29/h2-14,21H,15H2,1H3,(H,25,27)
IMFCKFOAYSYUEY-UHFFFAOYSA-N
CSID:2347594, http://www.chemspider.com/Chemical-Structure.2347594.html (accessed 01:22, Apr 27, 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) = 3.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 664.21 (Adapted Stein & Brown method) Melting Pt (deg C): 289.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.75E-015 (Modified Grain method) Subcooled liquid VP: 1.5E-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): 1.836 log Kow used: 3.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.061456 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.44E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.821E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.89 (KowWin est) Log Kaw used: -12.741 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.631 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0121 Biowin2 (Non-Linear Model) : 0.9606 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1677 (months ) Biowin4 (Primary Survey Model) : 3.3663 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2630 Biowin6 (MITI Non-Linear Model): 0.0024 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4136 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): 2E-010 Pa (1.5E-012 mm Hg) Log Koa (Koawin est ): 16.631 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.5E+004 Octanol/air (Koa) model: 1.05E+004 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 = 46.9313 E-12 cm3/molecule-sec Half-Life = 0.228 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.735 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 : 9686 Log Koc: 3.986 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 = 2.292 (BCF = 195.8) log Kow used: 3.89 (estimated) Volatilization from Water: Henry LC: 4.44E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.586E+011 hours (1.077E+010 days) Half-Life from Model Lake : 2.821E+012 hours (1.175E+011 days) Removal In Wastewater Treatment: Total removal: 25.31 percent Total biodegradation: 0.28 percent Total sludge adsorption: 25.02 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 0.021 5.47 1000 Water 9.35 1.44e+003 1000 Soil 88.5 2.88e+003 1000 Sediment 2.14 1.3e+004 0 Persistence Time: 2.62e+003 hr
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