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- Charge
Trifluorosulfonium
F[S+](F)F
InChI=1S/F3S/c1-4(2)3/q+1
CVAWJXNMZZBMQP-UHFFFAOYSA-N
Date of deprecation: 11:10, Feb 21, 2014 Reason for deprecation: Deprecate record: there are no supporting data sources.
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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) = 1.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 473.30 (Adapted Stein & Brown method) Melting Pt (deg C): 149.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.98E-009 (Modified Grain method) Subcooled liquid VP: 1.29E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4853 log Kow used: 1.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 53674 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.64E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.704E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.65 (KowWin est) Log Kaw used: 0.826 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.824 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7047 Biowin2 (Non-Linear Model) : 0.8494 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0001 (weeks ) Biowin4 (Primary Survey Model) : 3.7178 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4963 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 1.72E-005 Pa (1.29E-007 mm Hg) Log Koa (Koawin est ): 0.824 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.174 Octanol/air (Koa) model: 1.64E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.863 Mackay model : 0.933 Octanol/air (Koa) model: 1.31E-010 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): 0.898 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 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 = 0.570 (BCF = 3.718) log Kow used: 1.65 (estimated) Volatilization from Water: Henry LC: 0.164 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.9718 hours (58.31 min) Half-Life from Model Lake : 90.18 hours (3.757 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.45 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.38 percent Total to Air: 98.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 40.9 1e+005 1000 Water 55.4 360 1000 Soil 3.62 720 1000 Sediment 0.144 3.24e+003 0 Persistence Time: 174 hr
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