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Ethyl trifluoromethanesulfonate
CCOS(=O)(=O)C(F)(F)F
InChI=1S/C3H5F3O3S/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3
UVECLJDRPFNRRQ-UHFFFAOYSA-N
CSID:61241, http://www.chemspider.com/Chemical-Structure.61241.html (accessed 00:18, Apr 25, 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) = 1.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 173.48 (Adapted Stein & Brown method) Melting Pt (deg C): 7.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 19.5 (Mean VP of Antoine & Grain methods) BP (exp database): 115 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1881 log Kow used: 1.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 24582 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.21E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.430E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.73 (KowWin est) Log Kaw used: -2.764 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.494 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1423 Biowin2 (Non-Linear Model) : 0.0055 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2926 (weeks-months) Biowin4 (Primary Survey Model) : 3.3163 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2842 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7825 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): 2.44E+003 Pa (18.3 mm Hg) Log Koa (Koawin est ): 4.494 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.23E-009 Octanol/air (Koa) model: 7.66E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.44E-008 Mackay model : 9.84E-008 Octanol/air (Koa) model: 6.12E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.8211 E-12 cm3/molecule-sec Half-Life = 13.027 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.14E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 103.7 Log Koc: 2.016 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 = 0.630 (BCF = 4.27) log Kow used: 1.73 (estimated) Volatilization from Water: Henry LC: 4.21E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 19.92 hours Half-Life from Model Lake : 329.3 hours (13.72 days) Removal In Wastewater Treatment: Total removal: 4.25 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.93 percent Total to Air: 2.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.55 313 1000 Water 35.2 900 1000 Soil 58.1 1.8e+003 1000 Sediment 0.104 8.1e+003 0 Persistence Time: 607 hr
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