Try beta.chemspider
7H,9H-Benzo[4,5]isoquinolino[1,2-b]quinazoline-7,9-dione
c1ccc2c(c1)c(=O)n3c(n2)c4cccc5c4c(c3=O)ccc5
InChI=1S/C19H10N2O2/c22-18-12-7-1-2-10-15(12)20-17-13-8-3-5-11-6-4-9-14(16(11)13)19(23)21(17)18/h1-10H
UEQQGROYAPCKBX-UHFFFAOYSA-N
CSID:725567, http://www.chemspider.com/Chemical-Structure.725567.html (accessed 15:04, Apr 26, 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) = 3.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 550.74 (Adapted Stein & Brown method) Melting Pt (deg C): 236.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.32E-012 (Modified Grain method) Subcooled liquid VP: 1.39E-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): 1.049 log Kow used: 3.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.52946 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.33E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.739E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.48 (KowWin est) Log Kaw used: -9.265 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.745 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6055 Biowin2 (Non-Linear Model) : 0.2267 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5400 (weeks-months) Biowin4 (Primary Survey Model) : 3.4174 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0931 Biowin6 (MITI Non-Linear Model): 0.0075 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1182 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): 1.85E-007 Pa (1.39E-009 mm Hg) Log Koa (Koawin est ): 12.745 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 16.2 Octanol/air (Koa) model: 1.36 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: 0.991 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.8862 E-12 cm3/molecule-sec Half-Life = 0.370 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.443 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 : 1.211E+004 Log Koc: 4.083 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 = 1.976 (BCF = 94.7) log Kow used: 3.48 (estimated) Volatilization from Water: Henry LC: 1.33E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.603E+007 hours (3.168E+006 days) Half-Life from Model Lake : 8.294E+008 hours (3.456E+007 days) Removal In Wastewater Treatment: Total removal: 12.58 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.40 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 0.0687 8.89 1000 Water 12.9 900 1000 Soil 86.2 1.8e+003 1000 Sediment 0.89 8.1e+003 0 Persistence Time: 1.61e+003 hr
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