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3-(2,2,2-Trifluoroethoxy)-1-propene
C=CCOCC(F)(F)F
InChI=1S/C5H7F3O/c1-2-3-9-4-5(6,7)8/h2H,1,3-4H2
NOTCQEKRIPQPAW-UHFFFAOYSA-N
CSID:14474, http://www.chemspider.com/Chemical-Structure.14474.html (accessed 08:28, 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) = 1.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 52.69 (Adapted Stein & Brown method) Melting Pt (deg C): -92.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 277 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2336 log Kow used: 1.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1687 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.18E-002 atm-m3/mole Group Method: 2.23E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.186E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.82 (KowWin est) Log Kaw used: -0.317 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.137 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1869 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3679 (weeks-months) Biowin4 (Primary Survey Model) : 3.3615 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4663 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4102 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): 3.65E+004 Pa (274 mm Hg) Log Koa (Koawin est ): 2.137 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.21E-011 Octanol/air (Koa) model: 3.37E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.97E-009 Mackay model : 6.57E-009 Octanol/air (Koa) model: 2.69E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.4050 E-12 cm3/molecule-sec Half-Life = 0.390 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.684 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 4.77E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 32.99 Log Koc: 1.518 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 = 0.701 (BCF = 5.024) log Kow used: 1.82 (estimated) Volatilization from Water: Henry LC: 0.00223 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.519 hours Half-Life from Model Lake : 115.8 hours (4.826 days) Removal In Wastewater Treatment: Total removal: 48.12 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.25 percent Total to Air: 46.81 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.83 6.65 1000 Water 67.7 900 1000 Soil 26.3 1.8e+003 1000 Sediment 0.216 8.1e+003 0 Persistence Time: 126 hr
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