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2-(3,4-Dimethoxyphenyl)-2-oxoethyl 1,2,3,4-tetrahydro-9-acridinecarboxylate
COc1ccc(cc1OC)C(=O)COC(=O)c2c3ccccc3nc4c2CCCC4
InChI=1S/C24H23NO5/c1-28-21-12-11-15(13-22(21)29-2)20(26)14-30-24(27)23-16-7-3-5-9-18(16)25-19-10-6-4-8-17(19)23/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3
XBKNFSSOGJWVRR-UHFFFAOYSA-N
CSID:928398, http://www.chemspider.com/Chemical-Structure.928398.html (accessed 22:36, Jun 15, 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) = 4.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 530.75 (Adapted Stein & Brown method) Melting Pt (deg C): 226.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.09E-011 (Modified Grain method) Subcooled liquid VP: 4.54E-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): 0.4682 log Kow used: 4.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.0817 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.39E-014 atm-m3/mole Group Method: 9.09E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.521E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.43 (KowWin est) Log Kaw used: -12.245 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.675 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1087 Biowin2 (Non-Linear Model) : 0.9985 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1550 (months ) Biowin4 (Primary Survey Model) : 3.4867 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3937 Biowin6 (MITI Non-Linear Model): 0.1517 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3127 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): 6.05E-007 Pa (4.54E-009 mm Hg) Log Koa (Koawin est ): 16.675 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.96 Octanol/air (Koa) model: 1.16E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.994 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.3524 E-12 cm3/molecule-sec Half-Life = 0.311 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.736 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.573E+004 Log Koc: 4.553 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.242E-001 L/mol-sec Kb Half-Life at pH 8: 12.852 days Kb Half-Life at pH 7: 128.523 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.870 (BCF = 74.1) log Kow used: 4.43 (estimated) Volatilization from Water: Henry LC: 1.39E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.481E+010 hours (3.534E+009 days) Half-Life from Model Lake : 9.252E+011 hours (3.855E+010 days) Removal In Wastewater Treatment: Total removal: 52.30 percent Total biodegradation: 0.49 percent Total sludge adsorption: 51.80 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 1.82e-005 7.47 1000 Water 7.82 1.44e+003 1000 Soil 85.6 2.88e+003 1000 Sediment 6.56 1.3e+004 0 Persistence Time: 3.06e+003 hr
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