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6-Methoxy-N-methyl-1,2,3,4-tetrahydro-2-naphthalenamine
COc1ccc2CC(CCc2c1)NC
InChI=1S/C12H17NO/c1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h4,6,8,11,13H,3,5,7H2,1-2H3
WOAVCBANAFHJOZ-UHFFFAOYSA-N
Date of deprecation: 11:55, May 12, 2014 Reason for deprecation: Deprecate record: there are no supporting data sources.
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 283.76 (Adapted Stein & Brown method) Melting Pt (deg C): 65.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00192 (Modified Grain method) Subcooled liquid VP: 0.0046 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): 2268 log Kow used: 2.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1184.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.81E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.131E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.74 (KowWin est) Log Kaw used: -5.555 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.295 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0516 Biowin2 (Non-Linear Model) : 0.9919 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5931 (weeks-months) Biowin4 (Primary Survey Model) : 3.5551 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3179 Biowin6 (MITI Non-Linear Model): 0.1543 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4218 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): 0.613 Pa (0.0046 mm Hg) Log Koa (Koawin est ): 8.295 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.89E-006 Octanol/air (Koa) model: 4.84E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000177 Mackay model : 0.000391 Octanol/air (Koa) model: 0.00386 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 161.2007 E-12 cm3/molecule-sec Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.796 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000284 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2310 Log Koc: 3.364 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 = 1.408 (BCF = 25.56) log Kow used: 2.74 (estimated) Volatilization from Water: Henry LC: 6.81E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.189E+004 hours (495.5 days) Half-Life from Model Lake : 1.298E+005 hours (5410 days) Removal In Wastewater Treatment: Total removal: 4.00 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.89 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 0.0674 1.59 1000 Water 20.3 900 1000 Soil 79.4 1.8e+003 1000 Sediment 0.264 8.1e+003 0 Persistence Time: 1.04e+003 hr
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