2-Methoxyphenyl diphenylacetate
COc1ccccc1OC(=O)C(c2ccccc2)c3ccccc3
InChI=1S/C21H18O3/c1-23-18-14-8-9-15-19(18)24-21(22)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3
LSFZZWRTRCMTKV-UHFFFAOYSA-N
CSID:588369, http://www.chemspider.com/Chemical-Structure.588369.html (accessed 02:15, Mar 19, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 420.84 (Adapted Stein & Brown method) Melting Pt (deg C): 152.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.28E-007 (Modified Grain method) Subcooled liquid VP: 2.58E-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): 0.5015 log Kow used: 5.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.065189 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.50E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.069E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.01 (KowWin est) Log Kaw used: -5.991 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.001 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2129 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5469 (weeks-months) Biowin4 (Primary Survey Model) : 3.6357 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4096 Biowin6 (MITI Non-Linear Model): 0.2824 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1254 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): 0.000344 Pa (2.58E-006 mm Hg) Log Koa (Koawin est ): 11.001 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00872 Octanol/air (Koa) model: 0.0246 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.24 Mackay model : 0.411 Octanol/air (Koa) model: 0.663 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.4779 E-12 cm3/molecule-sec Half-Life = 0.404 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.848 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.325 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.738E+004 Log Koc: 4.941 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.183E-001 L/mol-sec Kb Half-Life at pH 8: 19.177 days Kb Half-Life at pH 7: 191.771 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.160 (BCF = 1445) log Kow used: 5.01 (estimated) Volatilization from Water: Henry LC: 2.5E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.179E+004 hours (1741 days) Half-Life from Model Lake : 4.56E+005 hours (1.9E+004 days) Removal In Wastewater Treatment: Total removal: 78.02 percent Total biodegradation: 0.68 percent Total sludge adsorption: 77.34 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 0.111 9.7 1000 Water 9.47 900 1000 Soil 68.3 1.8e+003 1000 Sediment 22.1 8.1e+003 0 Persistence Time: 1.84e+003 hr
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