Try beta.chemspider
2-(2-Naphthyl)-1,3-dioxo-5-isoindolinecarboxylic acid
c1ccc2cc(ccc2c1)N3C(=O)c4ccc(cc4C3=O)C(=O)O
InChI=1S/C19H11NO4/c21-17-15-8-6-13(19(23)24)10-16(15)18(22)20(17)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,23,24)
GHJCBIAFBDNSCE-UHFFFAOYSA-N
CSID:676196, http://www.chemspider.com/Chemical-Structure.676196.html (accessed 09:17, 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) = 3.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 597.74 (Adapted Stein & Brown method) Melting Pt (deg C): 258.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.39E-013 (Modified Grain method) Subcooled liquid VP: 8.45E-011 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): 23.46 log Kow used: 3.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.078481 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.03E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.253E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.06 (KowWin est) Log Kaw used: -11.376 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.436 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7733 Biowin2 (Non-Linear Model) : 0.7161 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5858 (weeks-months) Biowin4 (Primary Survey Model) : 3.3977 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2273 Biowin6 (MITI Non-Linear Model): 0.0480 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1474 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): 1.13E-008 Pa (8.45E-011 mm Hg) Log Koa (Koawin est ): 14.436 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 266 Octanol/air (Koa) model: 67 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 = 138.3453 E-12 cm3/molecule-sec Half-Life = 0.077 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.928 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 : 415 Log Koc: 2.618 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: 3.06 (estimated) Volatilization from Water: Henry LC: 1.03E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.013E+010 hours (4.219E+008 days) Half-Life from Model Lake : 1.105E+011 hours (4.602E+009 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 0.0122 1.86 1000 Water 13.6 900 1000 Soil 86 1.8e+003 1000 Sediment 0.354 8.1e+003 0 Persistence Time: 1.62e+003 hr
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