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2,2-Difluoroethyl acetate
CC(=O)OCC(F)F
InChI=1S/C4H6F2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3
PFJLHSIZFYNAHH-UHFFFAOYSA-N
CSID:120783, http://www.chemspider.com/Chemical-Structure.120783.html (accessed 15:53, Jun 16, 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) = 0.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 67.72 (Adapted Stein & Brown method) Melting Pt (deg C): -91.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 144 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.585e+004 log Kow used: 0.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16439 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.21E-004 atm-m3/mole Group Method: 7.56E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.095E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.67 (KowWin est) Log Kaw used: -1.424 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.094 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8627 Biowin2 (Non-Linear Model) : 0.9952 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0652 (weeks ) Biowin4 (Primary Survey Model) : 3.8977 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7206 Biowin6 (MITI Non-Linear Model): 0.0020 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7885 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): 1.88E+004 Pa (141 mm Hg) Log Koa (Koawin est ): 2.094 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.6E-010 Octanol/air (Koa) model: 3.05E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.76E-009 Mackay model : 1.28E-008 Octanol/air (Koa) model: 2.44E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2575 E-12 cm3/molecule-sec Half-Life = 41.535 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.26E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 17.48 Log Koc: 1.243 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.208E-001 L/mol-sec Kb Half-Life at pH 8: 66.387 days Kb Half-Life at pH 7: 1.818 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.67 (estimated) Volatilization from Water: Henry LC: 7.56E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 87.41 hours (3.642 days) Half-Life from Model Lake : 1047 hours (43.62 days) Removal In Wastewater Treatment: Total removal: 2.28 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 0.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.96 997 1000 Water 42.8 360 1000 Soil 48.1 720 1000 Sediment 0.0819 3.24e+003 0 Persistence Time: 374 hr
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