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Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.11 Log Kow (Exper. database match) = 0.03 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 129.64 (Adapted Stein & Brown method) Melting Pt (deg C): -54.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.4 (Mean VP of Antoine & Grain methods) MP (exp database): -67.5 deg C BP (exp database): 128.6 deg C VP (exp database): 7.18E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.982e+005 log Kow used: 0.03 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4837e+005 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.26E-006 atm-m3/mole Group Method: 1.04E-007 atm-m3/mole Exper Database: 7.61E-07 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.171E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.03 (exp database) Log Kaw used: -4.507 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.537 Log Koa (experimental database): 4.300 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7566 Biowin2 (Non-Linear Model) : 0.7559 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0080 (weeks ) Biowin4 (Primary Survey Model) : 3.7604 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7337 Biowin6 (MITI Non-Linear Model): 0.8062 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0062 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): 957 Pa (7.18 mm Hg) Log Koa (Exp database): 4.300 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.13E-009 Octanol/air (Koa) model: 4.9E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.13E-007 Mackay model : 2.51E-007 Octanol/air (Koa) model: 3.92E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.7534 E-12 cm3/molecule-sec Half-Life = 6.100 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 73.202 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.82E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.325 Log Koc: 0.122 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 = 0.500 (BCF = 3.162) log Kow used: 0.03 (expkow database) Volatilization from Water: Henry LC: 7.61E-007 atm-m3/mole (Henry experimental database) Half-Life from Model River: 691.2 hours (28.8 days) Half-Life from Model Lake : 7616 hours (317.3 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.12 183 1000 Water 43.6 360 1000 Soil 51.2 720 1000 Sediment 0.0805 3.24e+003 0 Persistence Time: 404 hr