Permanganate Ion – Formation Of A Spin

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Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 615.34 (Adapted Stein & Brown method) Melting Pt (deg C): 266.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.08E-016 (Modified Grain method) Subcooled liquid VP: 4.81E-014 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): 1684 log Kow used: 2.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) : Bond Method : Incomplete Group Method: Incomplete Henrys LC : 1.012E-020 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) : Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6904 Biowin2 (Non-Linear Model) : 0.7868 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9341 (weeks ) Biowin4 (Primary Survey Model) : 3.6747 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3553 Biowin6 (MITI Non-Linear Model): 0.2815 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 Ready Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 6.41E-012 Pa (4.81E-014 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.68E+005 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1400 E-12 cm3/molecule-sec Half-Life = 76.400 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.901 (BCF = 7.958) log Kow used: 2.08 (estimated) Volatilization from Water: Henry LC: 1.01E-020 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 6.335E+016 hours (2.64E+015 days) Half-Life from Model Lake : 6.911E+017 hours (2.88E+016 days) Removal In Wastewater Treatment: Total removal: 2.33 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.23 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 6.55e-006 1.83e+003 1000 Water 21.9 360 1000 Soil 78 720 1000 Sediment 0.0848 3.24e+003 0 Persistence Time: 718 hr

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