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1-Ethoxy-3-[2-(4-fluorophenoxy)ethoxy]benzene
CCOc1cccc(c1)OCCOc2ccc(cc2)F
InChI=1S/C16H17FO3/c1-2-18-15-4-3-5-16(12-15)20-11-10-19-14-8-6-13(17)7-9-14/h3-9,12H,2,10-11H2,1H3
TXKNYJPFWXQZQI-UHFFFAOYSA-N
CSID:1711492, http://www.chemspider.com/Chemical-Structure.1711492.html (accessed 04:56, Jul 6, 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) = 4.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 350.55 (Adapted Stein & Brown method) Melting Pt (deg C): 108.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.96E-005 (Modified Grain method) Subcooled liquid VP: 0.000128 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): 2.068 log Kow used: 4.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.44497 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.68E-007 atm-m3/mole Group Method: 2.50E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.446E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.58 (KowWin est) Log Kaw used: -5.163 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.743 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2017 Biowin2 (Non-Linear Model) : 0.0090 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0073 (months ) Biowin4 (Primary Survey Model) : 3.6939 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7076 Biowin6 (MITI Non-Linear Model): 0.0391 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6051 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): 0.0171 Pa (0.000128 mm Hg) Log Koa (Koawin est ): 9.743 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000176 Octanol/air (Koa) model: 0.00136 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00631 Mackay model : 0.0139 Octanol/air (Koa) model: 0.098 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 220.1890 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.583 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0101 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.427E+004 Log Koc: 4.535 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 = 2.826 (BCF = 669.4) log Kow used: 4.58 (estimated) Volatilization from Water: Henry LC: 0.00025 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5.589 hours Half-Life from Model Lake : 200.4 hours (8.348 days) Removal In Wastewater Treatment: Total removal: 62.62 percent Total biodegradation: 0.53 percent Total sludge adsorption: 58.07 percent Total to Air: 4.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0492 1.17 1000 Water 7.34 1.44e+003 1000 Soil 83.9 2.88e+003 1000 Sediment 8.72 1.3e+004 0 Persistence Time: 1.63e+003 hr
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