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1-(2-Methoxyphenyl)-N-(2-naphthylmethyl)methanamine
COc1ccccc1CNCc2ccc3ccccc3c2
InChI=1S/C19H19NO/c1-21-19-9-5-4-8-18(19)14-20-13-15-10-11-16-6-2-3-7-17(16)12-15/h2-12,20H,13-14H2,1H3
DMGOQYTUSPGLLX-UHFFFAOYSA-N
CSID:692820, http://www.chemspider.com/Chemical-Structure.692820.html (accessed 22:49, 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) = 4.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 410.10 (Adapted Stein & Brown method) Melting Pt (deg C): 148.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.63E-007 (Modified Grain method) Subcooled liquid VP: 4.72E-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): 24.26 log Kow used: 4.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.7233 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.26E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.956E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.50 (KowWin est) Log Kaw used: -7.592 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.092 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9012 Biowin2 (Non-Linear Model) : 0.9190 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5525 (weeks-months) Biowin4 (Primary Survey Model) : 3.5680 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0949 Biowin6 (MITI Non-Linear Model): 0.0338 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0474 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): 0.000629 Pa (4.72E-006 mm Hg) Log Koa (Koawin est ): 12.092 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00477 Octanol/air (Koa) model: 0.303 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.147 Mackay model : 0.276 Octanol/air (Koa) model: 0.96 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 161.0735 E-12 cm3/molecule-sec Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.797 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.211 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.749E+005 Log Koc: 5.243 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 = 2.765 (BCF = 582) log Kow used: 4.50 (estimated) Volatilization from Water: Henry LC: 6.26E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.558E+006 hours (6.49E+004 days) Half-Life from Model Lake : 1.699E+007 hours (7.08E+005 days) Removal In Wastewater Treatment: Total removal: 56.03 percent Total biodegradation: 0.52 percent Total sludge adsorption: 55.51 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 0.00477 1.59 1000 Water 10.4 900 1000 Soil 81.8 1.8e+003 1000 Sediment 7.8 8.1e+003 0 Persistence Time: 1.89e+003 hr
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