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1,1,2,2-Tetrafluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-2-(trifluoromethoxy)ethane
C(C(OC(F)(F)F)(F)F)(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C6F14O3/c7-1(8,3(11,12)22-5(15,16)17)21-2(9,10)4(13,14)23-6(18,19)20
YSGKVOMJRCQYMT-UHFFFAOYSA-N
CSID:10323006, http://www.chemspider.com/Chemical-Structure.10323006.html (accessed 05:39, Jul 8, 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) = 5.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 106.79 (Adapted Stein & Brown method) Melting Pt (deg C): -38.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 32.7 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.06806 log Kow used: 5.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.734 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.17E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.440E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.55 (KowWin est) Log Kaw used: -0.887 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.437 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -2.2549 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.4457 (recalcitrant) Biowin4 (Primary Survey Model) : 2.0990 (months ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0818 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2726 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): 4.12E+003 Pa (30.9 mm Hg) Log Koa (Koawin est ): 6.437 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.28E-010 Octanol/air (Koa) model: 6.71E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.63E-008 Mackay model : 5.83E-008 Octanol/air (Koa) model: 5.37E-005 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): 4.23E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 88.38 Log Koc: 1.946 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 = 3.573 (BCF = 3743) log Kow used: 5.55 (estimated) Volatilization from Water: Henry LC: 0.00317 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.368 hours Half-Life from Model Lake : 190.6 hours (7.941 days) Removal In Wastewater Treatment: Total removal: 90.33 percent Total biodegradation: 0.67 percent Total sludge adsorption: 83.88 percent Total to Air: 5.78 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.94 1e+005 1000 Water 1.68 4.32e+003 1000 Soil 71.9 8.64e+003 1000 Sediment 25.5 3.89e+004 0 Persistence Time: 5.53e+003 hr
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