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N-[4-(Diethylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CCN(CC)c1ccc(cc1)NC(=O)Cc2ccc(cc2)OC
InChI=1S/C19H24N2O2/c1-4-21(5-2)17-10-8-16(9-11-17)20-19(22)14-15-6-12-18(23-3)13-7-15/h6-13H,4-5,14H2,1-3H3,(H,20,22)
UZMDTFZUQIGLRR-UHFFFAOYSA-N
CSID:638316, http://www.chemspider.com/Chemical-Structure.638316.html (accessed 03:58, May 15, 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) = 4.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 471.44 (Adapted Stein & Brown method) Melting Pt (deg C): 199.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.09E-009 (Modified Grain method) Subcooled liquid VP: 1.44E-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): 3.624 log Kow used: 4.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0755 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.26E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.371E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.05 (KowWin est) Log Kaw used: -10.471 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.521 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7903 Biowin2 (Non-Linear Model) : 0.8660 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0668 (months ) Biowin4 (Primary Survey Model) : 3.3230 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1298 Biowin6 (MITI Non-Linear Model): 0.0332 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7006 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): 1.92E-005 Pa (1.44E-007 mm Hg) Log Koa (Koawin est ): 14.521 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.156 Octanol/air (Koa) model: 81.5 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.849 Mackay model : 0.926 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 122.1013 E-12 cm3/molecule-sec Half-Life = 0.088 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.051 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.888 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.19E+004 Log Koc: 4.075 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 = 2.417 (BCF = 261.3) log Kow used: 4.05 (estimated) Volatilization from Water: Henry LC: 8.26E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.253E+009 hours (5.22E+007 days) Half-Life from Model Lake : 1.367E+010 hours (5.695E+008 days) Removal In Wastewater Treatment: Total removal: 32.40 percent Total biodegradation: 0.34 percent Total sludge adsorption: 32.06 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 3.5e-005 2.1 1000 Water 8.43 1.44e+003 1000 Soil 88.7 2.88e+003 1000 Sediment 2.86 1.3e+004 0 Persistence Time: 2.94e+003 hr
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