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1-(2-Naphthylmethyl)-1H-indole-2,3-dione
O=C2c1ccccc1N(C2=O)Cc4cc3ccccc3cc4
InChI=1S/C19H13NO2/c21-18-16-7-3-4-8-17(16)20(19(18)22)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2
VJURTBBMRUNASU-UHFFFAOYSA-N
CSID:5398794, http://www.chemspider.com/Chemical-Structure.5398794.html (accessed 00:02, Jul 7, 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) = 3.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 485.96 (Adapted Stein & Brown method) Melting Pt (deg C): 206.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.51E-010 (Modified Grain method) Subcooled liquid VP: 6.2E-008 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): 28.93 log Kow used: 3.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.743 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.57E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.814E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.16 (KowWin est) Log Kaw used: -9.836 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.996 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8209 Biowin2 (Non-Linear Model) : 0.8348 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5100 (weeks-months) Biowin4 (Primary Survey Model) : 3.6386 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0187 Biowin6 (MITI Non-Linear Model): 0.0245 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7889 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): 8.27E-006 Pa (6.2E-008 mm Hg) Log Koa (Koawin est ): 12.996 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.363 Octanol/air (Koa) model: 2.43 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.929 Mackay model : 0.967 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 68.8209 E-12 cm3/molecule-sec Half-Life = 0.155 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.865 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.948 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1075 Log Koc: 3.031 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 = 1.736 (BCF = 54.41) log Kow used: 3.16 (estimated) Volatilization from Water: Henry LC: 3.57E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.78E+008 hours (1.158E+007 days) Half-Life from Model Lake : 3.033E+009 hours (1.264E+008 days) Removal In Wastewater Treatment: Total removal: 7.30 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.17 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 0.000549 3.73 1000 Water 12.3 900 1000 Soil 87.3 1.8e+003 1000 Sediment 0.404 8.1e+003 0 Persistence Time: 1.8e+003 hr
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