1,1'-[Oxybis(methylene)]bis(4-fluorobenzene)
Fc1ccc(cc1)COCc2ccc(F)cc2
InChI=1S/C14H12F2O/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-8H,9-10H2
XBXLZNNMEKOYPT-UHFFFAOYSA-N
CSID:8418587, http://www.chemspider.com/Chemical-Structure.8418587.html (accessed 22:17, 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) = 3.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 293.91 (Adapted Stein & Brown method) Melting Pt (deg C): 66.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00109 (Modified Grain method) Subcooled liquid VP: 0.0027 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): 13.93 log Kow used: 3.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18.132 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.65E-006 atm-m3/mole Group Method: 6.58E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.412E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.88 (KowWin est) Log Kaw used: -3.505 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.385 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.3313 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8590 (months ) Biowin4 (Primary Survey Model) : 3.5270 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0058 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1993 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): 0.36 Pa (0.0027 mm Hg) Log Koa (Koawin est ): 7.385 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.33E-006 Octanol/air (Koa) model: 5.96E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000301 Mackay model : 0.000666 Octanol/air (Koa) model: 0.000476 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.3461 E-12 cm3/molecule-sec Half-Life = 0.617 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.399 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000484 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5483 Log Koc: 3.739 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 = 2.290 (BCF = 195.1) log Kow used: 3.88 (estimated) Volatilization from Water: Henry LC: 6.58E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1363 hours (56.81 days) Half-Life from Model Lake : 1.5E+004 hours (625.1 days) Removal In Wastewater Treatment: Total removal: 24.93 percent Total biodegradation: 0.28 percent Total sludge adsorption: 24.62 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.316 14.8 1000 Water 13.2 1.44e+003 1000 Soil 83.5 2.88e+003 1000 Sediment 2.94 1.3e+004 0 Persistence Time: 1.73e+003 hr
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