4-(2-Methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
COCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)OCCOC
InChI=1S/C19H23NO5/c1-22-11-13-24-17-7-3-15(4-8-17)19(21)20-16-5-9-18(10-6-16)25-14-12-23-2/h3-10H,11-14H2,1-2H3,(H,20,21)
TVRFTXAEDVWXJG-UHFFFAOYSA-N
CSID:12570085, http://www.chemspider.com/Chemical-Structure.12570085.html (accessed 21:39, 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) = 2.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 496.32 (Adapted Stein & Brown method) Melting Pt (deg C): 210.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.61E-010 (Modified Grain method) Subcooled liquid VP: 3.4E-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): 69.92 log Kow used: 2.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 37.635 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.03E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.346E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.31 (KowWin est) Log Kaw used: -13.376 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.686 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3624 Biowin2 (Non-Linear Model) : 0.1727 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2481 (months ) Biowin4 (Primary Survey Model) : 3.6896 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4688 Biowin6 (MITI Non-Linear Model): 0.1961 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7089 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): 4.53E-006 Pa (3.4E-008 mm Hg) Log Koa (Koawin est ): 15.686 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.662 Octanol/air (Koa) model: 1.19E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.96 Mackay model : 0.981 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.5424 E-12 cm3/molecule-sec Half-Life = 0.177 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.120 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.971 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 21.44 Log Koc: 1.331 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 = 1.081 (BCF = 12.05) log Kow used: 2.31 (estimated) Volatilization from Water: Henry LC: 1.03E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.056E+012 hours (4.402E+010 days) Half-Life from Model Lake : 1.152E+013 hours (4.802E+011 days) Removal In Wastewater Treatment: Total removal: 2.66 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.56 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 2.38e-007 4.24 1000 Water 17.3 1.44e+003 1000 Soil 82.6 2.88e+003 1000 Sediment 0.106 1.3e+004 0 Persistence Time: 2.2e+003 hr
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