Indeno[7,1-fg]quinoline-4,5-dione
O=C4C(=O)c2cc1ncccc1c3c2c4ccc3
InChI=1S/C15H7NO2/c17-14-10-4-1-3-9-8-5-2-6-16-12(8)7-11(13(9)10)15(14)18/h1-7H
CBZLTEGFYMYUPY-UHFFFAOYSA-N
CSID:8665202, http://www.chemspider.com/Chemical-Structure.8665202.html (accessed 13:19, Mar 29, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 426.67 (Adapted Stein & Brown method) Melting Pt (deg C): 178.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.75E-008 (Modified Grain method) Subcooled liquid VP: 1.85E-006 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): 4.927 log Kow used: 3.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 127.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.38E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.959E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.12 (KowWin est) Log Kaw used: -10.747 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.867 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6365 Biowin2 (Non-Linear Model) : 0.4248 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6838 (weeks-months) Biowin4 (Primary Survey Model) : 3.5112 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0758 Biowin6 (MITI Non-Linear Model): 0.0334 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1681 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): 0.000247 Pa (1.85E-006 mm Hg) Log Koa (Koawin est ): 13.867 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0122 Octanol/air (Koa) model: 18.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.305 Mackay model : 0.493 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.4581 E-12 cm3/molecule-sec Half-Life = 3.093 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 37.116 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.399 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 771 Log Koc: 2.887 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 = 1.701 (BCF = 50.27) log Kow used: 3.12 (estimated) Volatilization from Water: Henry LC: 4.38E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.041E+009 hours (8.506E+007 days) Half-Life from Model Lake : 2.227E+010 hours (9.279E+008 days) Removal In Wastewater Treatment: Total removal: 6.85 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.72 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 5.25e-006 74.2 1000 Water 12.4 900 1000 Soil 87.2 1.8e+003 1000 Sediment 0.371 8.1e+003 0 Persistence Time: 1.8e+003 hr
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