Oxydi-2,1-ethanediyl diacetate
CC(=O)OCCOCCOC(=O)C
InChI=1S/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3
UBPGILLNMDGSDS-UHFFFAOYSA-N
CSID:62619, http://www.chemspider.com/Chemical-Structure.62619.html (accessed 03:31, Mar 28, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 207.76 (Adapted Stein & Brown method) Melting Pt (deg C): -54.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.361 (Mean VP of Antoine & Grain methods) MP (exp database): 18 deg C BP (exp database): 200 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.795e+004 log Kow used: 0.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.4585e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.61E-009 atm-m3/mole Group Method: 1.25E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.381E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.13 (KowWin est) Log Kaw used: -6.453 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.583 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6580 Biowin2 (Non-Linear Model) : 0.9936 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0506 (weeks ) Biowin4 (Primary Survey Model) : 4.0215 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0337 Biowin6 (MITI Non-Linear Model): 0.9728 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8674 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): 44 Pa (0.33 mm Hg) Log Koa (Koawin est ): 6.583 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.82E-008 Octanol/air (Koa) model: 9.4E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.46E-006 Mackay model : 5.45E-006 Octanol/air (Koa) model: 7.52E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.7761 E-12 cm3/molecule-sec Half-Life = 0.602 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.220 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.96E-006 (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 : 5.264E-001 L/mol-sec Kb Half-Life at pH 8: 15.239 days Kb Half-Life at pH 7: 152.388 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.13 (estimated) Volatilization from Water: Henry LC: 1.25E-010 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.46E+006 hours (2.692E+005 days) Half-Life from Model Lake : 7.047E+007 hours (2.936E+006 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.00292 14.4 1000 Water 38.3 360 1000 Soil 61.6 720 1000 Sediment 0.071 3.24e+003 0 Persistence Time: 583 hr
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