6-Methoxy-3-acridinamine
COc1ccc2cc3ccc(cc3nc2c1)N
InChI=1S/C14H12N2O/c1-17-12-5-3-10-6-9-2-4-11(15)7-13(9)16-14(10)8-12/h2-8H,15H2,1H3
WRWHILKSVNEXBF-UHFFFAOYSA-N
CSID:118824, http://www.chemspider.com/Chemical-Structure.118824.html (accessed 02:00, Nov 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, 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) = 2.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 399.96 (Adapted Stein & Brown method) Melting Pt (deg C): 152.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.23E-007 (Modified Grain method) Subcooled liquid VP: 8.33E-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): 19.23 log Kow used: 2.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1219.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.40E-012 atm-m3/mole Group Method: 1.31E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.491E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.48 (KowWin est) Log Kaw used: -10.242 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.722 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5389 Biowin2 (Non-Linear Model) : 0.5413 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5105 (weeks-months) Biowin4 (Primary Survey Model) : 3.4929 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1404 Biowin6 (MITI Non-Linear Model): 0.0478 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0113 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): 0.00111 Pa (8.33E-006 mm Hg) Log Koa (Koawin est ): 12.722 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0027 Octanol/air (Koa) model: 1.29 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0889 Mackay model : 0.178 Octanol/air (Koa) model: 0.99 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.8296 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.639 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.133 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.352E+004 Log Koc: 4.371 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 = 1.212 (BCF = 16.28) log Kow used: 2.48 (estimated) Volatilization from Water: Henry LC: 1.31E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.693E+006 hours (2.789E+005 days) Half-Life from Model Lake : 7.301E+007 hours (3.042E+006 days) Removal In Wastewater Treatment: Total removal: 3.04 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.94 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 0.00119 1.28 1000 Water 16.4 900 1000 Soil 83.5 1.8e+003 1000 Sediment 0.129 8.1e+003 0 Persistence Time: 1.62e+003 hr
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