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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
MOLI000904
MOLI001726
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.22 Log Kow (Exper. database match) = 2.07 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 215.79 (Adapted Stein & Brown method) Melting Pt (deg C): 2.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00448 (Modified Grain method) MP (exp database): 172.5 deg C Subcooled liquid VP: 0.151 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): 1.329e+004 log Kow used: 2.07 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4280 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.37E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.619E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.07 (exp database) Log Kaw used: -4.014 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.084 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0131 Biowin2 (Non-Linear Model) : 0.9876 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8410 (weeks ) Biowin4 (Primary Survey Model) : 3.6121 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2370 Biowin6 (MITI Non-Linear Model): 0.1608 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3076 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): 20.1 Pa (0.151 mm Hg) Log Koa (Koawin est ): 6.084 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.49E-007 Octanol/air (Koa) model: 2.98E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.38E-006 Mackay model : 1.19E-005 Octanol/air (Koa) model: 2.38E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 92.6176 E-12 cm3/molecule-sec Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.386 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.65E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1610 Log Koc: 3.207 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 = 0.894 (BCF = 7.832) log Kow used: 2.07 (expkow database) Volatilization from Water: Henry LC: 2.37E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 303 hours (12.63 days) Half-Life from Model Lake : 3408 hours (142 days) Removal In Wastewater Treatment: Total removal: 2.45 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.22 percent Total to Air: 0.13 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.319 2.77 1000 Water 31.2 360 1000 Soil 68.4 720 1000 Sediment 0.119 3.24e+003 0 Persistence Time: 417 hr