2-(4-Formyl-2-methoxyphenoxy)-N-(3-methylphenyl)acetamide
Cc1cccc(c1)NC(=O)COc2ccc(cc2OC)C=O
InChI=1S/C17H17NO4/c1-12-4-3-5-14(8-12)18-17(20)11-22-15-7-6-13(10-19)9-16(15)21-2/h3-10H,11H2,1-2H3,(H,18,20)
URDIRHOQKDATFS-UHFFFAOYSA-N
CSID:678688, http://www.chemspider.com/Chemical-Structure.678688.html (accessed 04:01, Apr 20, 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) = 2.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 478.42 (Adapted Stein & Brown method) Melting Pt (deg C): 202.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.28E-009 (Modified Grain method) Subcooled liquid VP: 9.6E-008 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): 66.66 log Kow used: 2.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 37.795 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.08E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.563E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.66 (KowWin est) Log Kaw used: -11.900 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.560 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.4183 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3147 (weeks-months) Biowin4 (Primary Survey Model) : 3.9037 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8989 Biowin6 (MITI Non-Linear Model): 0.8528 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3466 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): 1.28E-005 Pa (9.6E-008 mm Hg) Log Koa (Koawin est ): 14.560 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.234 Octanol/air (Koa) model: 89.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.894 Mackay model : 0.949 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.9662 E-12 cm3/molecule-sec Half-Life = 0.167 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.007 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.922 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 156.5 Log Koc: 2.195 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 = 1.346 (BCF = 22.18) log Kow used: 2.66 (estimated) Volatilization from Water: Henry LC: 3.08E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.289E+010 hours (1.37E+009 days) Half-Life from Model Lake : 3.588E+011 hours (1.495E+010 days) Removal In Wastewater Treatment: Total removal: 3.64 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.54 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 3.3e-006 4.01 1000 Water 14.7 900 1000 Soil 85.2 1.8e+003 1000 Sediment 0.163 8.1e+003 0 Persistence Time: 1.7e+003 hr
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