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2-Fluoro-2-(pentafluoroethyl)-3,3-bis(trifluoromethyl)oxirane
C1(C(O1)(C(C(F)(F)F)(F)F)F)(C(F)(F)F)C(F)(F)F
InChI=1S/C6F12O/c7-2(8,6(16,17)18)3(9)1(19-3,4(10,11)12)5(13,14)15
NOESGFSFSJKFIF-UHFFFAOYSA-N
CSID:9624747, http://www.chemspider.com/Chemical-Structure.9624747.html (accessed 19:54, Apr 29, 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) = 4.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 38.96 (Adapted Stein & Brown method) Melting Pt (deg C): -110.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 460 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.342 log Kow used: 4.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.19589 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.44E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.724E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.06 (KowWin est) Log Kaw used: 1.770 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.290 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.8633 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.3168 (recalcitrant) Biowin4 (Primary Survey Model) : 2.0985 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1848 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4239 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): 6.12E+004 Pa (459 mm Hg) Log Koa (Koawin est ): 2.290 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.9E-011 Octanol/air (Koa) model: 4.79E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.77E-009 Mackay model : 3.92E-009 Octanol/air (Koa) model: 3.83E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.85E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3891 Log Koc: 3.590 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 1.948E-024 L/mol-sec Ka Half-Life at pH 7: 1.128E+023 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.430 (BCF = 268.9) log Kow used: 4.06 (estimated) Volatilization from Water: Henry LC: 1.44 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.815 hours Half-Life from Model Lake : 168.9 hours (7.036 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.85 percent Total biodegradation: 0.07 percent Total sludge adsorption: 18.90 percent Total to Air: 80.88 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 38.2 1e+005 1000 Water 39.1 4.32e+003 1000 Soil 3.06 8.64e+003 1000 Sediment 19.6 3.89e+004 0 Persistence Time: 233 hr
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