N-[4-Methoxy-2-(2-methyl-2-propanyl)benzyl]acetamide
O=C(NCc1c(cc(OC)cc1)C(C)(C)C)C CopyCopied
InChI=1S/C14H21NO2/c1-10(16)15-9-11-6-7-12(17-5)8-13(11)14(2,3)4/h6-8H,9H2,1-5H3,(H,15,16) CopyCopied
QYIMOAYWABGTLY-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
N-{[2-(tert-butyl)-4-methoxyphenyl]methyl}acetamide
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 376.01 (Adapted Stein & Brown method) Melting Pt (deg C): 137.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.32E-006 (Modified Grain method) Subcooled liquid VP: 3.16E-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): 77.76 log Kow used: 3.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 231.08 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.03E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.238E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.00 (KowWin est) Log Kaw used: -7.907 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.907 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7936 Biowin2 (Non-Linear Model) : 0.9470 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3547 (weeks-months) Biowin4 (Primary Survey Model) : 3.6373 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3725 Biowin6 (MITI Non-Linear Model): 0.2096 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5795 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): 0.00421 Pa (3.16E-005 mm Hg) Log Koa (Koawin est ): 10.907 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000712 Octanol/air (Koa) model: 0.0198 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0251 Mackay model : 0.0539 Octanol/air (Koa) model: 0.613 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 68.4820 E-12 cm3/molecule-sec Half-Life = 0.156 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.874 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0395 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1639 Log Koc: 3.214 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 = 1.612 (BCF = 40.88) log Kow used: 3.00 (estimated) Volatilization from Water: Henry LC: 3.03E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.964E+006 hours (1.235E+005 days) Half-Life from Model Lake : 3.234E+007 hours (1.347E+006 days) Removal In Wastewater Treatment: Total removal: 5.69 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.57 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 0.00236 3.75 1000 Water 12.9 900 1000 Soil 86.8 1.8e+003 1000 Sediment 0.295 8.1e+003 0 Persistence Time: 1.76e+003 hr
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