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2-(2-Butoxyethoxy)ethyl (4-methoxyphenoxy)acetate
CCCCOCCOCCOC(=O)COc1ccc(cc1)OC
InChI=1S/C17H26O6/c1-3-4-9-20-10-11-21-12-13-22-17(18)14-23-16-7-5-15(19-2)6-8-16/h5-8H,3-4,9-14H2,1-2H3
VJBMZSVGXQRDDL-UHFFFAOYSA-N
CSID:209785, http://www.chemspider.com/Chemical-Structure.209785.html (accessed 05:00, Jun 1, 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) = 2.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 388.52 (Adapted Stein & Brown method) Melting Pt (deg C): 134.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.24E-006 (Modified Grain method) Subcooled liquid VP: 1.58E-005 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): 49.68 log Kow used: 2.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 83.519 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Surfactants-nonionic Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.80E-010 atm-m3/mole Group Method: 3.01E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.072E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.62 (KowWin est) Log Kaw used: -8.133 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.753 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4439 Biowin2 (Non-Linear Model) : 0.8738 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7829 (weeks ) Biowin4 (Primary Survey Model) : 4.0096 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9073 Biowin6 (MITI Non-Linear Model): 0.8739 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1988 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00211 Pa (1.58E-005 mm Hg) Log Koa (Koawin est ): 10.753 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00142 Octanol/air (Koa) model: 0.0139 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0489 Mackay model : 0.102 Octanol/air (Koa) model: 0.527 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.4032 E-12 cm3/molecule-sec Half-Life = 0.190 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.276 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0756 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 30.59 Log Koc: 1.486 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.160E+000 L/mol-sec Kb Half-Life at pH 8: 21.018 hours Kb Half-Life at pH 7: 8.758 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.317 (BCF = 20.76) log Kow used: 2.62 (estimated) Volatilization from Water: Henry LC: 1.8E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.876E+006 hours (2.448E+005 days) Half-Life from Model Lake : 6.411E+007 hours (2.671E+006 days) Removal In Wastewater Treatment: Total removal: 3.49 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.38 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 0.0034 4.55 1000 Water 18.1 360 1000 Soil 81.7 720 1000 Sediment 0.154 3.24e+003 0 Persistence Time: 756 hr
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