Try beta.chemspider
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Cc1cc(no1)NC(=O)CN2C(=O)c3ccccc3C2=O
InChI=1S/C14H11N3O4/c1-8-6-11(16-21-8)15-12(18)7-17-13(19)9-4-2-3-5-10(9)14(17)20/h2-6H,7H2,1H3,(H,15,16,18)
UOVGULBCCXCVSF-UHFFFAOYSA-N
CSID:773037, http://www.chemspider.com/Chemical-Structure.773037.html (accessed 15:22, Jun 14, 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) = 0.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 560.73 (Adapted Stein & Brown method) Melting Pt (deg C): 240.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.55E-012 (Modified Grain method) Subcooled liquid VP: 7.71E-010 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): 5117 log Kow used: 0.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2030.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.36E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.604E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.55 (KowWin est) Log Kaw used: -13.749 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.299 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8766 Biowin2 (Non-Linear Model) : 0.9026 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4397 (weeks-months) Biowin4 (Primary Survey Model) : 3.5731 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1221 Biowin6 (MITI Non-Linear Model): 0.0297 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5547 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): 1.03E-007 Pa (7.71E-010 mm Hg) Log Koa (Koawin est ): 14.299 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 29.2 Octanol/air (Koa) model: 48.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 170.0372 E-12 cm3/molecule-sec Half-Life = 0.063 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.755 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 72.33 Log Koc: 1.859 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 = 0.500 (BCF = 3.162) log Kow used: 0.55 (estimated) Volatilization from Water: Henry LC: 4.36E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.268E+012 hours (9.45E+010 days) Half-Life from Model Lake : 2.474E+013 hours (1.031E+012 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 1.1e-005 1.51 1000 Water 44.2 900 1000 Soil 55.8 1.8e+003 1000 Sediment 0.0877 8.1e+003 0 Persistence Time: 1e+003 hr
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