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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1-(2-Chloro-1-(4-methoxyphenyl)-2-phenylvinyl)-4-methoxybenzene
AIDS146754
AIDS-146754
NCI60_026458
NSC674613
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 439.96 (Adapted Stein & Brown method) Melting Pt (deg C): 165.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.11E-008 (Modified Grain method) Subcooled liquid VP: 8.71E-007 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): 0.03494 log Kow used: 6.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0055099 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.39E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.109E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.14 (KowWin est) Log Kaw used: -6.245 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.385 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8610 Biowin2 (Non-Linear Model) : 0.9220 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1564 (months ) Biowin4 (Primary Survey Model) : 3.4001 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1676 Biowin6 (MITI Non-Linear Model): 0.0181 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0041 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): 0.000116 Pa (8.71E-007 mm Hg) Log Koa (Koawin est ): 12.385 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0258 Octanol/air (Koa) model: 0.596 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.483 Mackay model : 0.674 Octanol/air (Koa) model: 0.979 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 67.0267 E-12 cm3/molecule-sec Half-Life = 0.160 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.915 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.243202 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.162 Min Fraction sorbed to airborne particulates (phi): 0.578 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.868E+005 Log Koc: 5.837 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 = 4.028 (BCF = 1.066e+004) log Kow used: 6.14 (estimated) Volatilization from Water: Henry LC: 1.39E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.89E+004 hours (3287 days) Half-Life from Model Lake : 8.609E+005 hours (3.587E+004 days) Removal In Wastewater Treatment: Total removal: 92.67 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.90 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 0.00597 0.545 1000 Water 2.58 1.44e+003 1000 Soil 36.4 2.88e+003 1000 Sediment 61 1.3e+004 0 Persistence Time: 4.05e+003 hr