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Difluoro(2,3,3-trifluoro-2-oxiranyl)methyl sulfurofluoridate
O=S(F)(=O)OC(F)(F)C1(F)OC1(F)F
InChI=1S/C3F6O4S/c4-1(2(5,6)12-1)3(7,8)13-14(9,10)11
PIPXGAATYFILJV-UHFFFAOYSA-N
CSID:9163766, http://www.chemspider.com/Chemical-Structure.9163766.html (accessed 00:06, Jul 7, 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) = 2.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 181.60 (Adapted Stein & Brown method) Melting Pt (deg C): 23.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.893 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 82.22 log Kow used: 2.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12206 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.40E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.517E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.90 (KowWin est) Log Kaw used: -3.857 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.757 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2688 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0103 (months ) Biowin4 (Primary Survey Model) : 3.0226 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2886 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): 108 Pa (0.812 mm Hg) Log Koa (Koawin est ): 6.757 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.77E-008 Octanol/air (Koa) model: 1.4E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1E-006 Mackay model : 2.22E-006 Octanol/air (Koa) model: 0.000112 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): 1.61E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 40.17 Log Koc: 1.604 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 1.689E-024 L/mol-sec Ka Half-Life at pH 7: 1.300E+023 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.537 (BCF = 34.4) log Kow used: 2.90 (estimated) Volatilization from Water: Henry LC: 3.4E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 271.7 hours (11.32 days) Half-Life from Model Lake : 3096 hours (129 days) Removal In Wastewater Treatment: Total removal: 5.10 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.80 percent Total to Air: 0.19 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.99 1e+005 1000 Water 16.4 1.44e+003 1000 Soil 81.3 2.88e+003 1000 Sediment 0.326 1.3e+004 0 Persistence Time: 1.57e+003 hr
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