2-Ethoxy-1,1,1-trifluoroethane
CCOCC(F)(F)F
InChI=1S/C4H7F3O/c1-2-8-3-4(5,6)7/h2-3H2,1H3
ZKNHDJMXIUOHLX-UHFFFAOYSA-N
CSID:9609, http://www.chemspider.com/Chemical-Structure.9609.html (accessed 23:42, Mar 28, 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) = 1.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 28.48 (Adapted Stein & Brown method) Melting Pt (deg C): -104.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 672 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5248 log Kow used: 1.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5133.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.20E-002 atm-m3/mole Group Method: 2.18E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.158E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.46 (KowWin est) Log Kaw used: -0.309 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.769 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1812 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3945 (weeks-months) Biowin4 (Primary Survey Model) : 3.3788 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4839 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5512 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 8.96E+004 Pa (672 mm Hg) Log Koa (Koawin est ): 1.769 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.35E-011 Octanol/air (Koa) model: 1.44E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.21E-009 Mackay model : 2.68E-009 Octanol/air (Koa) model: 1.15E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.5810 E-12 cm3/molecule-sec Half-Life = 6.765 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 81.183 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.94E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 17.89 Log Koc: 1.253 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 = 0.428 (BCF = 2.679) log Kow used: 1.46 (estimated) Volatilization from Water: Henry LC: 0.00218 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.459 hours Half-Life from Model Lake : 110.8 hours (4.617 days) Removal In Wastewater Treatment: Total removal: 47.54 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.14 percent Total to Air: 46.34 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 35.4 162 1000 Water 51.6 900 1000 Soil 12.8 1.8e+003 1000 Sediment 0.128 8.1e+003 0 Persistence Time: 166 hr
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