Try beta.chemspider
2-Methyl-2-propanyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CC(C)(C)OC(=O)CN1C(=O)c2ccccc2C1=O
InChI=1S/C14H15NO4/c1-14(2,3)19-11(16)8-15-12(17)9-6-4-5-7-10(9)13(15)18/h4-7H,8H2,1-3H3
LAFNOENFXFPJKD-UHFFFAOYSA-N
CSID:209656, http://www.chemspider.com/Chemical-Structure.209656.html (accessed 14:56, May 10, 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) = 2.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 444.45 (Adapted Stein & Brown method) Melting Pt (deg C): 186.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.38E-008 (Modified Grain method) Subcooled liquid VP: 6.75E-007 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): 178.4 log Kow used: 2.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 130.49 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.49E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.659E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.41 (KowWin est) Log Kaw used: -6.992 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.402 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6134 Biowin2 (Non-Linear Model) : 0.8395 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5499 (weeks-months) Biowin4 (Primary Survey Model) : 3.5463 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4297 Biowin6 (MITI Non-Linear Model): 0.2308 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0793 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): 9E-005 Pa (6.75E-007 mm Hg) Log Koa (Koawin est ): 9.402 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0333 Octanol/air (Koa) model: 0.000619 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.546 Mackay model : 0.727 Octanol/air (Koa) model: 0.0472 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.4382 E-12 cm3/molecule-sec Half-Life = 0.613 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.360 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.637 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 29.24 Log Koc: 1.466 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.190E-001 L/mol-sec Kb Half-Life at pH 8: 36.625 days Kb Half-Life at pH 7: 1.003 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.157 (BCF = 14.36) log Kow used: 2.41 (estimated) Volatilization from Water: Henry LC: 2.49E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.801E+005 hours (1.584E+004 days) Half-Life from Model Lake : 4.146E+006 hours (1.728E+005 days) Removal In Wastewater Treatment: Total removal: 2.86 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.76 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 0.0488 14.7 1000 Water 17.5 900 1000 Soil 82.3 1.8e+003 1000 Sediment 0.122 8.1e+003 0 Persistence Time: 1.53e+003 hr
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