1-(2-Bromo-1,1,2,2-tetrafluoroethoxy)-1,2,2-trifluoroethene
C(=C(F)F)(OC(C(F)(F)Br)(F)F)F
InChI=1S/C4BrF7O/c5-3(9,10)4(11,12)13-2(8)1(6)7
ZPYGRBTUNITHKJ-UHFFFAOYSA-N
CSID:2062429, http://www.chemspider.com/Chemical-Structure.2062429.html (accessed 14:05, Mar 28, 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) = 2.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 57.49 (Adapted Stein & Brown method) Melting Pt (deg C): -80.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 231 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 69.81 log Kow used: 2.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 582.32 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 : 9.63E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.206E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.78 (KowWin est) Log Kaw used: 0.595 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.185 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1457 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1832 (months ) Biowin4 (Primary Survey Model) : 3.1669 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2434 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2695 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): 3.04E+004 Pa (228 mm Hg) Log Koa (Koawin est ): 2.185 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.87E-011 Octanol/air (Koa) model: 3.76E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.56E-009 Mackay model : 7.89E-009 Octanol/air (Koa) model: 3.01E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3243 E-12 cm3/molecule-sec Half-Life = 8.077 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 96.919 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.056000 E-17 cm3/molecule-sec Half-Life = 20.464 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 5.73E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 211.2 Log Koc: 2.325 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 = 1.444 (BCF = 27.83) log Kow used: 2.78 (estimated) Volatilization from Water: Henry LC: 0.0963 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.708 hours Half-Life from Model Lake : 158.2 hours (6.591 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.41 percent Total biodegradation: 0.02 percent Total sludge adsorption: 1.70 percent Total to Air: 95.69 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 39 139 1000 Water 56.1 1.44e+003 1000 Soil 3.98 2.88e+003 1000 Sediment 0.852 1.3e+004 0 Persistence Time: 149 hr
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