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2-(3,4-Dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CCOc1ccccc1NC(=O)COc2ccc(c(c2)C)C
InChI=1S/C18H21NO3/c1-4-21-17-8-6-5-7-16(17)19-18(20)12-22-15-10-9-13(2)14(3)11-15/h5-11H,4,12H2,1-3H3,(H,19,20)
FDPGGLOLASTTJU-UHFFFAOYSA-N
CSID:1555513, http://www.chemspider.com/Chemical-Structure.1555513.html (accessed 11:32, May 13, 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) = 3.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 460.60 (Adapted Stein & Brown method) Melting Pt (deg C): 194.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.47E-009 (Modified Grain method) Subcooled liquid VP: 2.68E-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): 5.434 log Kow used: 3.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.1614 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.81E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.240E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.93 (KowWin est) Log Kaw used: -9.131 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.061 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1883 Biowin2 (Non-Linear Model) : 0.9992 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2174 (months ) Biowin4 (Primary Survey Model) : 3.6384 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5783 Biowin6 (MITI Non-Linear Model): 0.4374 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8149 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): 3.57E-005 Pa (2.68E-007 mm Hg) Log Koa (Koawin est ): 13.061 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.084 Octanol/air (Koa) model: 2.82 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.752 Mackay model : 0.87 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 90.7853 E-12 cm3/molecule-sec Half-Life = 0.118 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.414 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.811 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2418 Log Koc: 3.383 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 = 2.327 (BCF = 212.5) log Kow used: 3.93 (estimated) Volatilization from Water: Henry LC: 1.81E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.597E+007 hours (2.332E+006 days) Half-Life from Model Lake : 6.106E+008 hours (2.544E+007 days) Removal In Wastewater Treatment: Total removal: 26.97 percent Total biodegradation: 0.30 percent Total sludge adsorption: 26.68 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 0.000444 2.83 1000 Water 8.61 1.44e+003 1000 Soil 89.2 2.88e+003 1000 Sediment 2.17 1.3e+004 0 Persistence Time: 2.9e+003 hr
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