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Methyl (2-acetyl-4-methylphenoxy)acetate
Cc1ccc(c(c1)C(=O)C)OCC(=O)OC
InChI=1S/C12H14O4/c1-8-4-5-11(10(6-8)9(2)13)16-7-12(14)15-3/h4-6H,7H2,1-3H3
HCXSOCLGMNGMFF-UHFFFAOYSA-N
CSID:777559, http://www.chemspider.com/Chemical-Structure.777559.html (accessed 02:18, Apr 25, 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) = 1.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 314.33 (Adapted Stein & Brown method) Melting Pt (deg C): 85.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000237 (Modified Grain method) Subcooled liquid VP: 0.000909 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): 894.3 log Kow used: 1.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1745.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.08E-008 atm-m3/mole Group Method: 6.58E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.750E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.84 (KowWin est) Log Kaw used: -6.355 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.195 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0093 Biowin2 (Non-Linear Model) : 0.9982 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6928 (weeks-months) Biowin4 (Primary Survey Model) : 3.7424 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8240 Biowin6 (MITI Non-Linear Model): 0.8639 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0028 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): 0.121 Pa (0.000909 mm Hg) Log Koa (Koawin est ): 8.195 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.48E-005 Octanol/air (Koa) model: 3.85E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000893 Mackay model : 0.00198 Octanol/air (Koa) model: 0.00307 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.2521 E-12 cm3/molecule-sec Half-Life = 0.407 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.889 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00143 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 27.13 Log Koc: 1.433 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.452E+000 L/mol-sec Kb Half-Life at pH 8: 1.802 days Kb Half-Life at pH 7: 18.017 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = -0.121 (BCF = 0.7562) log Kow used: 1.84 (estimated) Volatilization from Water: Henry LC: 1.08E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.082E+004 hours (3367 days) Half-Life from Model Lake : 8.818E+005 hours (3.674E+004 days) Removal In Wastewater Treatment: Total removal: 2.12 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.03 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 0.092 9.78 1000 Water 27.4 900 1000 Soil 72.4 1.8e+003 1000 Sediment 0.0893 8.1e+003 0 Persistence Time: 1.19e+003 hr
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