2-[2-(2-Methyl-2-propanyl)phenoxy]-N-(1-phenylethyl)acetamide
CC(c1ccccc1)NC(=O)COc2ccccc2C(C)(C)C
InChI=1S/C20H25NO2/c1-15(16-10-6-5-7-11-16)21-19(22)14-23-18-13-9-8-12-17(18)20(2,3)4/h5-13,15H,14H2,1-4H3,(H,21,22)
GUIRAYYSKSYDHY-UHFFFAOYSA-N
CSID:2064567, http://www.chemspider.com/Chemical-Structure.2064567.html (accessed 09:48, Mar 28, 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) = 5.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 453.18 (Adapted Stein & Brown method) Melting Pt (deg C): 186.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.31E-009 (Modified Grain method) Subcooled liquid VP: 4.1E-007 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): 0.4949 log Kow used: 5.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.8324 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.08E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.881E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.07 (KowWin est) Log Kaw used: -8.070 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.140 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8855 Biowin2 (Non-Linear Model) : 0.9735 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2085 (months ) Biowin4 (Primary Survey Model) : 3.5324 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2904 Biowin6 (MITI Non-Linear Model): 0.1185 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7879 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): 5.47E-005 Pa (4.1E-007 mm Hg) Log Koa (Koawin est ): 13.140 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0549 Octanol/air (Koa) model: 3.39 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.665 Mackay model : 0.814 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 48.8198 E-12 cm3/molecule-sec Half-Life = 0.219 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.629 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.74 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.728E+004 Log Koc: 4.828 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 = 3.202 (BCF = 1592) log Kow used: 5.07 (estimated) Volatilization from Water: Henry LC: 2.08E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.967E+006 hours (2.07E+005 days) Half-Life from Model Lake : 5.419E+007 hours (2.258E+006 days) Removal In Wastewater Treatment: Total removal: 79.80 percent Total biodegradation: 0.69 percent Total sludge adsorption: 79.11 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 0.00283 5.26 1000 Water 5.95 1.44e+003 1000 Soil 72.9 2.88e+003 1000 Sediment 21.1 1.3e+004 0 Persistence Time: 3.53e+003 hr
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