2-(2-Ethoxyethoxy)ethanol
CCOCCOCCO
InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
XXJWXESWEXIICW-UHFFFAOYSA-N
CSID:13839107, http://www.chemspider.com/Chemical-Structure.13839107.html (accessed 13:31, Apr 18, 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) = -0.69 Log Kow (Exper. database match) = -0.54 Exper. Ref: Funasaki,N et al. (1984) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 202.21 (Adapted Stein & Brown method) Melting Pt (deg C): -3.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0938 (Mean VP of Antoine & Grain methods) MP (exp database): -76 deg C BP (exp database): 196 deg C VP (exp database): 1.26E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8.28e+005 log Kow used: -0.54 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C) Exper. Ref: RIDDICK,JA ET AL. (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: RIDDICK,JA ET AL. (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.63E-010 atm-m3/mole Group Method: 2.23E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.000E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.54 (exp database) Log Kaw used: -7.452 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.912 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1477 Biowin2 (Non-Linear Model) : 0.0096 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0453 (weeks ) Biowin4 (Primary Survey Model) : 3.7641 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7245 Biowin6 (MITI Non-Linear Model): 0.8333 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5047 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): 16.8 Pa (0.126 mm Hg) Log Koa (Koawin est ): 6.912 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.79E-007 Octanol/air (Koa) model: 2E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.45E-006 Mackay model : 1.43E-005 Octanol/air (Koa) model: 0.00016 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.3577 E-12 cm3/molecule-sec Half-Life = 0.341 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.093 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.04E-005 (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: -0.54 (expkow database) Volatilization from Water: Henry LC: 2.23E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.041E+007 hours (1.267E+006 days) Half-Life from Model Lake : 3.318E+008 hours (1.382E+007 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 0.000524 4.49 1000 Water 38.9 360 1000 Soil 61.1 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 580 hr
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