2-Ethoxyethyl acetate
CCOCCOC(=O)C
InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
SVONRAPFKPVNKG-UHFFFAOYSA-N
CSID:13839109, http://www.chemspider.com/Chemical-Structure.13839109.html (accessed 20:38, Apr 19, 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) = 0.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 149.23 (Adapted Stein & Brown method) Melting Pt (deg C): -38.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.97 (Mean VP of Antoine & Grain methods) MP (exp database): -61.7 deg C BP (exp database): 156.4 deg C VP (exp database): 2.34E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.827e+004 log Kow used: 0.59 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 2.47e+005 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 92697 mg/L Wat Sol (Exper. database match) = 247000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.62E-006 atm-m3/mole Group Method: 3.38E-007 atm-m3/mole Exper Database: 3.20E-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.827E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.59 (KowWin est) Log Kaw used: -3.883 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.473 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5114 Biowin2 (Non-Linear Model) : 0.8560 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0387 (weeks ) Biowin4 (Primary Survey Model) : 3.8763 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8132 Biowin6 (MITI Non-Linear Model): 0.9150 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6695 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): 312 Pa (2.34 mm Hg) Log Koa (Koawin est ): 4.473 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.62E-009 Octanol/air (Koa) model: 7.29E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.47E-007 Mackay model : 7.69E-007 Octanol/air (Koa) model: 5.84E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.0615 E-12 cm3/molecule-sec Half-Life = 0.710 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.522 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.58E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.093 Log Koc: 0.321 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.632E-001 L/mol-sec Kb Half-Life at pH 8: 30.478 days Kb Half-Life at pH 7: 304.777 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.59 (estimated) Volatilization from Water: Henry LC: 3.2E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 211.5 hours (8.813 days) Half-Life from Model Lake : 2404 hours (100.2 days) Removal In Wastewater Treatment: Total removal: 2.04 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 0.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.3 19.7 1000 Water 45.8 360 1000 Soil 51.8 720 1000 Sediment 0.0869 3.24e+003 0 Persistence Time: 348 hr
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