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1,2-Dimethoxyethane
COCCOC
InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
XTHFKEDIFFGKHM-UHFFFAOYSA-N
CSID:13836589, http://www.chemspider.com/Chemical-Structure.13836589.html (accessed 05:25, Mar 14, 2025)
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) = -0.21 Log Kow (Exper. database match) = -0.21 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 73.48 (Adapted Stein & Brown method) Melting Pt (deg C): -82.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 79.2 (Mean VP of Antoine & Grain methods) MP (exp database): -58 deg C BP (exp database): 85 deg C VP (exp database): 4.80E+01 mm Hg at 20 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.88e+005 log Kow used: -0.21 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.34E-005 atm-m3/mole Group Method: 1.07E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.995E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.21 (exp database) Log Kaw used: -3.261 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.051 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0099 Biowin2 (Non-Linear Model) : 0.0059 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9827 (weeks ) Biowin4 (Primary Survey Model) : 3.6982 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5466 Biowin6 (MITI Non-Linear Model): 0.6474 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2144 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): 6.4E+003 Pa (48 mm Hg) Log Koa (Koawin est ): 3.051 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.69E-010 Octanol/air (Koa) model: 2.76E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.69E-008 Mackay model : 3.75E-008 Octanol/air (Koa) model: 2.21E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.6748 E-12 cm3/molecule-sec Half-Life = 0.682 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.188 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.72E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.21 (expkow database) Volatilization from Water: Henry LC: 1.07E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 520.4 hours (21.68 days) Half-Life from Model Lake : 5757 hours (239.9 days) Removal In Wastewater Treatment: Total removal: 1.91 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.22 9.37 1000 Water 47.5 360 1000 Soil 51.2 720 1000 Sediment 0.0875 3.24e+003 0 Persistence Time: 344 hr
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