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1,2-Ethanediylbis(oxy-2,1-ethanediyl) diacetate
CC(=O)OCCOCCOCCOC(=O)C
InChI=1S/C10H18O6/c1-9(11)15-7-5-13-3-4-14-6-8-16-10(2)12/h3-8H2,1-2H3
OVOUKWFJRHALDD-UHFFFAOYSA-N
CSID:7807, http://www.chemspider.com/Chemical-Structure.7807.html (accessed 04:51, Apr 26, 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) = -0.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 263.02 (Adapted Stein & Brown method) Melting Pt (deg C): -15.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00409 (Modified Grain method) MP (exp database): -50 deg C BP (exp database): 286 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.831e+004 log Kow used: -0.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.8506e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.34E-010 atm-m3/mole Group Method: 2.68E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.291E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.14 (KowWin est) Log Kaw used: -8.261 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.121 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2897 Biowin2 (Non-Linear Model) : 0.7276 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9446 (weeks ) Biowin4 (Primary Survey Model) : 3.9482 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0030 Biowin6 (MITI Non-Linear Model): 0.9551 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6621 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): 0.545 Pa (0.00409 mm Hg) Log Koa (Koawin est ): 8.121 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.5E-006 Octanol/air (Koa) model: 3.24E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000199 Mackay model : 0.00044 Octanol/air (Koa) model: 0.00259 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.7918 E-12 cm3/molecule-sec Half-Life = 0.336 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.037 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000319 (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: -0.14 (estimated) Volatilization from Water: Henry LC: 2.68E-013 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.344E+009 hours (1.393E+008 days) Half-Life from Model Lake : 3.648E+010 hours (1.52E+009 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 6.29e-006 8.07 1000 Water 38.6 360 1000 Soil 61.3 720 1000 Sediment 0.0711 3.24e+003 0 Persistence Time: 581 hr
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