N-(4-Chlorobenzyl)-2-(2-methylphenyl)ethanamine
Clc1ccc(cc1)CNCCc2ccccc2C
InChI=1S/C16H18ClN/c1-13-4-2-3-5-15(13)10-11-18-12-14-6-8-16(17)9-7-14/h2-9,18H,10-12H2,1H3
CRPLCQUYSXUDRJ-UHFFFAOYSA-N
CSID:7189948, http://www.chemspider.com/Chemical-Structure.7189948.html (accessed 23:12, Apr 19, 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) = 4.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 357.45 (Adapted Stein & Brown method) Melting Pt (deg C): 115.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.11E-005 (Modified Grain method) Subcooled liquid VP: 8.78E-005 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): 20.45 log Kow used: 4.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.4093 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.18E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.855E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.70 (KowWin est) Log Kaw used: -5.317 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.017 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7046 Biowin2 (Non-Linear Model) : 0.3937 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2932 (weeks-months) Biowin4 (Primary Survey Model) : 3.2138 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0240 Biowin6 (MITI Non-Linear Model): 0.0175 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6272 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): 0.0117 Pa (8.78E-005 mm Hg) Log Koa (Koawin est ): 10.017 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000256 Octanol/air (Koa) model: 0.00255 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00917 Mackay model : 0.0201 Octanol/air (Koa) model: 0.17 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 91.5277 E-12 cm3/molecule-sec Half-Life = 0.117 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.402 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0146 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.071E+005 Log Koc: 5.030 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 = 2.922 (BCF = 834.7) log Kow used: 4.70 (estimated) Volatilization from Water: Henry LC: 1.18E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7999 hours (333.3 days) Half-Life from Model Lake : 8.739E+004 hours (3641 days) Removal In Wastewater Treatment: Total removal: 65.98 percent Total biodegradation: 0.60 percent Total sludge adsorption: 65.39 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 0.0907 2.81 1000 Water 13.5 900 1000 Soil 70.4 1.8e+003 1000 Sediment 15.9 8.1e+003 0 Persistence Time: 1.31e+003 hr
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