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2-(Benzoyloxy)-1H-benzo[de]isoquinoline-1,3(2H)-dione
c1ccc(cc1)C(=O)ON2C(=O)c3cccc4c3c(ccc4)C2=O
InChI=1S/C19H11NO4/c21-17-14-10-4-8-12-9-5-11-15(16(12)14)18(22)20(17)24-19(23)13-6-2-1-3-7-13/h1-11H
QONFYXBWZXAGKU-UHFFFAOYSA-N
CSID:834187, http://www.chemspider.com/Chemical-Structure.834187.html (accessed 15:39, 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) = 2.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 553.08 (Adapted Stein & Brown method) Melting Pt (deg C): 237.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.18E-012 (Modified Grain method) Subcooled liquid VP: 1.21E-009 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): 10.72 log Kow used: 2.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.0359 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.58E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.407E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.16 (KowWin est) Log Kaw used: -8.977 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.137 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7246 Biowin2 (Non-Linear Model) : 0.5750 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5200 (weeks-months) Biowin4 (Primary Survey Model) : 3.3948 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1414 Biowin6 (MITI Non-Linear Model): 0.0049 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0045 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): 1.61E-007 Pa (1.21E-009 mm Hg) Log Koa (Koawin est ): 11.137 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 18.6 Octanol/air (Koa) model: 0.0337 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 0.999 Octanol/air (Koa) model: 0.729 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.0770 E-12 cm3/molecule-sec Half-Life = 0.427 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.118 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 : 2.665E+004 Log Koc: 4.426 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.246E+003 L/mol-sec Kb Half-Life at pH 8: 2.720 minutes Kb Half-Life at pH 7: 27.205 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.965 (BCF = 9.235) log Kow used: 2.16 (estimated) Volatilization from Water: Henry LC: 2.58E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.042E+007 hours (1.684E+006 days) Half-Life from Model Lake : 4.41E+008 hours (1.837E+007 days) Removal In Wastewater Treatment: Total removal: 2.42 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.32 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 0.141 10.2 1000 Water 22.4 900 1000 Soil 77.4 1.8e+003 1000 Sediment 0.106 8.1e+003 0 Persistence Time: 1.24e+003 hr
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