Oxybis(methylene) diacetate
O=C(OCOCOC(=O)C)C CopyCopied
InChI=1S/C6H10O5/c1-5(7)10-3-9-4-11-6(2)8/h3-4H2,1-2H3 CopyCopied
FCOKLAMVAHWFCI-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
methanol, 1,1'-oxybis-, diacetate
Oxybis(methylene) diacetate [ACD/IUPAC Name]
4082-91-1 [RN]
Methanol, oxybis-, diacetate
AI3-61418 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 166.85 (Adapted Stein & Brown method) Melting Pt (deg C): -77.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.82 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.572e+005 log Kow used: -0.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.89E-009 atm-m3/mole Group Method: 4.55E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.087E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.85 (KowWin est) Log Kaw used: -6.699 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.849 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6714 Biowin2 (Non-Linear Model) : 0.9957 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1126 (weeks ) Biowin4 (Primary Survey Model) : 4.0620 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0184 Biowin6 (MITI Non-Linear Model): 0.9715 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8154 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): 220 Pa (1.65 mm Hg) Log Koa (Koawin est ): 5.849 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.36E-008 Octanol/air (Koa) model: 1.73E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.93E-007 Mackay model : 1.09E-006 Octanol/air (Koa) model: 1.39E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.3160 E-12 cm3/molecule-sec Half-Life = 0.584 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.008 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.92E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.364E+000 L/mol-sec Kb Half-Life at pH 8: 1.089 days Kb Half-Life at pH 7: 10.893 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.85 (estimated) Volatilization from Water: Henry LC: 4.55E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 165.1 hours (6.881 days) Half-Life from Model Lake : 1908 hours (79.52 days) Removal In Wastewater Treatment: Total removal: 2.10 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.26 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.87 14 1000 Water 48 360 1000 Soil 50.1 720 1000 Sediment 0.0878 3.24e+003 0 Persistence Time: 334 hr
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