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Ethyl 2-fluoroacrylate
CCOC(=O)C(=C)F
InChI=1S/C5H7FO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
DJMOYRIAWTXGEY-UHFFFAOYSA-N
CSID:2049888, http://www.chemspider.com/Chemical-Structure.2049888.html (accessed 11:40, Jul 6, 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) = 1.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 96.30 (Adapted Stein & Brown method) Melting Pt (deg C): -78.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 43.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8336 log Kow used: 1.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13790 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.35E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.184E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.27 (KowWin est) Log Kaw used: -2.017 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.287 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8655 Biowin2 (Non-Linear Model) : 0.9956 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0784 (weeks ) Biowin4 (Primary Survey Model) : 3.9063 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7841 Biowin6 (MITI Non-Linear Model): 0.1279 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8073 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): 5.59E+003 Pa (41.9 mm Hg) Log Koa (Koawin est ): 3.287 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.37E-010 Octanol/air (Koa) model: 4.75E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.94E-008 Mackay model : 4.3E-008 Octanol/air (Koa) model: 3.8E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.4396 E-12 cm3/molecule-sec Half-Life = 1.966 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.596 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.070000 E-17 cm3/molecule-sec Half-Life = 16.371 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 3.12E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 18.7 Log Koc: 1.272 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.214E-003 L/mol-sec Kb Half-Life at pH 8: 6.834 years Kb Half-Life at pH 7: 68.343 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.281 (BCF = 1.908) log Kow used: 1.27 (estimated) Volatilization from Water: Henry LC: 0.000235 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.817 hours Half-Life from Model Lake : 132.8 hours (5.532 days) Removal In Wastewater Treatment: Total removal: 11.81 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.67 percent Total to Air: 10.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 11.4 42.1 1000 Water 44.1 360 1000 Soil 44.4 720 1000 Sediment 0.095 3.24e+003 0 Persistence Time: 212 hr
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