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2-(2-Methoxyphenoxy)ethyl 2-acetoxybenzoate
CC(=O)Oc1ccccc1C(=O)OCCOc2ccccc2OC
InChI=1S/C18H18O6/c1-13(19)24-15-8-4-3-7-14(15)18(20)23-12-11-22-17-10-6-5-9-16(17)21-2/h3-10H,11-12H2,1-2H3
FEFLVJLFTWFCOV-UHFFFAOYSA-N
CSID:118057, http://www.chemspider.com/Chemical-Structure.118057.html (accessed 04:49, May 8, 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) = 2.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 399.95 (Adapted Stein & Brown method) Melting Pt (deg C): 108.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.27E-006 (Modified Grain method) Subcooled liquid VP: 8.34E-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): 38.53 log Kow used: 2.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.536 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.42E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.433E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.72 (KowWin est) Log Kaw used: -8.236 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.956 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2025 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6333 (weeks-months) Biowin4 (Primary Survey Model) : 3.9833 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9727 Biowin6 (MITI Non-Linear Model): 0.9157 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6652 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): 0.00111 Pa (8.34E-006 mm Hg) Log Koa (Koawin est ): 10.956 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0027 Octanol/air (Koa) model: 0.0222 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0888 Mackay model : 0.178 Octanol/air (Koa) model: 0.64 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.9689 E-12 cm3/molecule-sec Half-Life = 0.369 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.431 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.133 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 784.2 Log Koc: 2.894 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.388E+000 L/mol-sec Kb Half-Life at pH 8: 5.779 days Kb Half-Life at pH 7: 57.791 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.396 (BCF = 24.87) log Kow used: 2.72 (estimated) Volatilization from Water: Henry LC: 1.42E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.494E+006 hours (3.122E+005 days) Half-Life from Model Lake : 8.175E+007 hours (3.406E+006 days) Removal In Wastewater Treatment: Total removal: 3.90 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.79 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 0.00124 8.86 1000 Water 14.3 900 1000 Soil 85.5 1.8e+003 1000 Sediment 0.179 8.1e+003 0 Persistence Time: 1.71e+003 hr
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