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1-Hydroxy-2,3-dimethoxy-10-methyl-9(10H)-acridinone
Cn1c2ccccc2c(=O)c3c1cc(c(c3O)OC)OC
InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3
ATBZZQPALSPNMF-UHFFFAOYSA-N
CSID:4445138, http://www.chemspider.com/Chemical-Structure.4445138.html (accessed 14:29, May 21, 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) = 1.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 426.56 (Adapted Stein & Brown method) Melting Pt (deg C): 178.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.84E-009 (Modified Grain method) Subcooled liquid VP: 3.46E-007 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): 53.21 log Kow used: 1.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.6557 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.61E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.237E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.57 (KowWin est) Log Kaw used: -9.182 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.752 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7929 Biowin2 (Non-Linear Model) : 0.8438 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2316 (months ) Biowin4 (Primary Survey Model) : 3.3198 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3933 Biowin6 (MITI Non-Linear Model): 0.1274 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9098 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): 4.61E-005 Pa (3.46E-007 mm Hg) Log Koa (Koawin est ): 10.752 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.065 Octanol/air (Koa) model: 0.0139 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.701 Mackay model : 0.839 Octanol/air (Koa) model: 0.526 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 203.0640 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.632 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.77 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 360.1 Log Koc: 2.556 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 = -0.333 (BCF = 0.4642) log Kow used: 1.57 (estimated) Volatilization from Water: Henry LC: 1.61E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.142E+007 hours (2.559E+006 days) Half-Life from Model Lake : 6.701E+008 hours (2.792E+007 days) Removal In Wastewater Treatment: Total removal: 2.00 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.90 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 0.000581 1.26 1000 Water 33.1 1.44e+003 1000 Soil 66.8 2.88e+003 1000 Sediment 0.0887 1.3e+004 0 Persistence Time: 1.53e+003 hr
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