Try beta.chemspider
Methyl fluoroacetate
COC(=O)CF
InChI=1S/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3
RJBYSQHLLIHSLT-UHFFFAOYSA-N
CSID:9565, http://www.chemspider.com/Chemical-Structure.9565.html (accessed 20:35, Apr 26, 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) = 0.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 55.13 (Adapted Stein & Brown method) Melting Pt (deg C): -94.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 30.9 (Mean VP of Antoine & Grain methods) MP (exp database): -35 deg C BP (exp database): 104.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.635e+004 log Kow used: 0.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 59265 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.49E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.642E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.31 (KowWin est) Log Kaw used: -1.846 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.156 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8779 Biowin2 (Non-Linear Model) : 0.9969 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1359 (weeks ) Biowin4 (Primary Survey Model) : 3.9439 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8492 Biowin6 (MITI Non-Linear Model): 0.2270 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9544 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): 3.89E+003 Pa (29.2 mm Hg) Log Koa (Koawin est ): 2.156 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.71E-010 Octanol/air (Koa) model: 3.52E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.78E-008 Mackay model : 6.16E-008 Octanol/air (Koa) model: 2.81E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1632 E-12 cm3/molecule-sec Half-Life = 65.532 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.47E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.423 Log Koc: 0.808 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.991E+001 L/mol-sec Kb Half-Life at pH 8: 9.671 hours Kb Half-Life at pH 7: 4.030 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.31 (estimated) Volatilization from Water: Henry LC: 0.000349 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.589 hours Half-Life from Model Lake : 108.7 hours (4.529 days) Removal In Wastewater Treatment: Total removal: 15.40 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.55 percent Total to Air: 13.76 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 31.8 1.57e+003 1000 Water 42.5 360 1000 Soil 25.6 720 1000 Sediment 0.0792 3.24e+003 0 Persistence Time: 208 hr
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