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ZINC04233775
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 422.35 (Adapted Stein & Brown method) Melting Pt (deg C): 165.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.45E-008 (Modified Grain method) Subcooled liquid VP: 2.37E-006 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): 1239 log Kow used: 1.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5775.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.47E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.893E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.01 (KowWin est) Log Kaw used: -11.996 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.006 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9424 Biowin2 (Non-Linear Model) : 0.9986 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7673 (weeks ) Biowin4 (Primary Survey Model) : 3.8406 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5160 Biowin6 (MITI Non-Linear Model): 0.2613 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6808 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000316 Pa (2.37E-006 mm Hg) Log Koa (Koawin est ): 13.006 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00949 Octanol/air (Koa) model: 2.49 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.255 Mackay model : 0.432 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.1474 E-12 cm3/molecule-sec Half-Life = 0.333 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.993 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.344 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 346.6 Log Koc: 2.540 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.101E-001 L/mol-sec Kb Half-Life at pH 8: 13.150 days Kb Half-Life at pH 7: 131.497 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.080 (BCF = 1.201) log Kow used: 1.01 (estimated) Volatilization from Water: Henry LC: 2.47E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.256E+010 hours (1.773E+009 days) Half-Life from Model Lake : 4.643E+011 hours (1.934E+010 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 7.92e-007 7.98 1000 Water 34.5 360 1000 Soil 65.4 720 1000 Sediment 0.0692 3.24e+003 0 Persistence Time: 610 hr