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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
4'-(Acetyloxy)-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl acetate
AIDS145421
AIDS-145421
NCI60_024636
NSC670177
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 413.11 (Adapted Stein & Brown method) Melting Pt (deg C): 126.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.91E-007 (Modified Grain method) Subcooled liquid VP: 3.98E-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): 0.3501 log Kow used: 5.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.21074 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.88E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.796E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.14 (KowWin est) Log Kaw used: -5.440 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.580 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1592 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4589 (weeks-months) Biowin4 (Primary Survey Model) : 3.5606 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6281 Biowin6 (MITI Non-Linear Model): 0.4362 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8482 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): 0.000531 Pa (3.98E-006 mm Hg) Log Koa (Koawin est ): 10.580 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00565 Octanol/air (Koa) model: 0.00933 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.17 Mackay model : 0.311 Octanol/air (Koa) model: 0.427 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.5416 E-12 cm3/molecule-sec Half-Life = 0.310 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.716 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.24 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8965 Log Koc: 3.953 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.538E+000 L/mol-sec Kb Half-Life at pH 8: 3.161 days Kb Half-Life at pH 7: 31.612 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.258 (BCF = 1810) log Kow used: 5.14 (estimated) Volatilization from Water: Henry LC: 8.88E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.191E+004 hours (496.4 days) Half-Life from Model Lake : 1.301E+005 hours (5422 days) Removal In Wastewater Treatment: Total removal: 81.68 percent Total biodegradation: 0.70 percent Total sludge adsorption: 80.97 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 0.147 7.43 1000 Water 9.55 900 1000 Soil 60.8 1.8e+003 1000 Sediment 29.5 8.1e+003 0 Persistence Time: 1.71e+003 hr