2,4-Dichlorobenzyl (4-acetyl-2-methoxyphenoxy)acetate
CC(=O)c1ccc(c(c1)OC)OCC(=O)OCc2ccc(cc2Cl)Cl
InChI=1S/C18H16Cl2O5/c1-11(21)12-4-6-16(17(7-12)23-2)24-10-18(22)25-9-13-3-5-14(19)8-15(13)20/h3-8H,9-10H2,1-2H3
UOXVXCVEONDYPC-UHFFFAOYSA-N
CSID:1891014, http://www.chemspider.com/Chemical-Structure.1891014.html (accessed 05:29, Apr 20, 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) = 3.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 450.60 (Adapted Stein & Brown method) Melting Pt (deg C): 183.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.06E-008 (Modified Grain method) Subcooled liquid VP: 4.75E-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): 1.979 log Kow used: 3.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.72052 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.56E-011 atm-m3/mole Group Method: 4.66E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.701E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.86 (KowWin est) Log Kaw used: -8.980 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.840 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6451 Biowin2 (Non-Linear Model) : 0.8401 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9406 (months ) Biowin4 (Primary Survey Model) : 3.3251 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4802 Biowin6 (MITI Non-Linear Model): 0.1206 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5455 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): 6.33E-005 Pa (4.75E-007 mm Hg) Log Koa (Koawin est ): 12.840 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0474 Octanol/air (Koa) model: 1.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.631 Mackay model : 0.791 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.3244 E-12 cm3/molecule-sec Half-Life = 0.479 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.749 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.711 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1284 Log Koc: 3.109 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.408E+001 L/mol-sec Kb Half-Life at pH 8: 13.671 hours Kb Half-Life at pH 7: 5.696 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.429 (BCF = 26.86) log Kow used: 3.86 (estimated) Volatilization from Water: Henry LC: 2.56E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.477E+007 hours (1.865E+006 days) Half-Life from Model Lake : 4.884E+008 hours (2.035E+007 days) Removal In Wastewater Treatment: Total removal: 24.11 percent Total biodegradation: 0.27 percent Total sludge adsorption: 23.83 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 0.000398 11.5 1000 Water 8.67 1.44e+003 1000 Soil 89.5 2.88e+003 1000 Sediment 1.84 1.3e+004 0 Persistence Time: 2.89e+003 hr
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