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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
4-(1-isobutyloxypropen-2-yl-)-2-methoxyphenylisobutyrat
NCI60_026274
NSC674131
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 326.82 (Adapted Stein & Brown method) Melting Pt (deg C): 16.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000464 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.168 log Kow used: 4.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.3231 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.95E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.596E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.27 (KowWin est) Log Kaw used: -4.546 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.816 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9577 Biowin2 (Non-Linear Model) : 0.9991 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8379 (weeks ) Biowin4 (Primary Survey Model) : 3.8867 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4778 Biowin6 (MITI Non-Linear Model): 0.4359 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0394 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): 0.0619 Pa (0.000464 mm Hg) Log Koa (Koawin est ): 8.816 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.85E-005 Octanol/air (Koa) model: 0.000161 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00175 Mackay model : 0.00386 Octanol/air (Koa) model: 0.0127 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.6737 E-12 cm3/molecule-sec Half-Life = 0.308 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.702 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.00281 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1740 Log Koc: 3.241 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.373E-001 L/mol-sec Kb Half-Life at pH 8: 14.931 days Kb Half-Life at pH 7: 149.306 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.586 (BCF = 385.4) log Kow used: 4.27 (estimated) Volatilization from Water: Henry LC: 6.95E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1437 hours (59.88 days) Half-Life from Model Lake : 1.582E+004 hours (659.2 days) Removal In Wastewater Treatment: Total removal: 43.67 percent Total biodegradation: 0.43 percent Total sludge adsorption: 43.22 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.488 5.6 1000 Water 22.7 360 1000 Soil 71.6 720 1000 Sediment 5.22 3.24e+003 0 Persistence Time: 495 hr