Try beta.chemspider
3,3,3-Trifluoro-1-propen-2-yl acetate
CC(=O)OC(=C)C(F)(F)F
InChI=1S/C5H5F3O2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3
VOKGSDIHTCTXDS-UHFFFAOYSA-N
CSID:67797, http://www.chemspider.com/Chemical-Structure.67797.html (accessed 12:09, May 1, 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) = 1.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 76.59 (Adapted Stein & Brown method) Melting Pt (deg C): -82.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 100 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2619 log Kow used: 1.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2100.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.44E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.742E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.69 (KowWin est) Log Kaw used: -0.230 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.920 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3279 Biowin2 (Non-Linear Model) : 0.3166 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4859 (weeks-months) Biowin4 (Primary Survey Model) : 3.5800 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6624 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7813 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): 1.3E+004 Pa (97.5 mm Hg) Log Koa (Koawin est ): 1.920 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.31E-010 Octanol/air (Koa) model: 2.04E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.34E-009 Mackay model : 1.85E-008 Octanol/air (Koa) model: 1.63E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.1062 E-12 cm3/molecule-sec Half-Life = 0.274 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.282 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 1.34E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 41.76 Log Koc: 1.621 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.662E-001 L/mol-sec Kb Half-Life at pH 8: 30.136 days Kb Half-Life at pH 7: 301.358 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.602 (BCF = 3.999) log Kow used: 1.69 (estimated) Volatilization from Water: Henry LC: 0.0144 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.317 hours Half-Life from Model Lake : 118.5 hours (4.936 days) Removal In Wastewater Treatment: Total removal: 84.93 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.60 percent Total to Air: 84.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 7.8 6.3 1000 Water 86.4 900 1000 Soil 5.52 1.8e+003 1000 Sediment 0.247 8.1e+003 0 Persistence Time: 91.6 hr
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