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Thionyl difluoride
O=S(F)F
InChI=1S/F2OS/c1-4(2)3
LSJNBGSOIVSBBR-UHFFFAOYSA-N
CSID:22954, http://www.chemspider.com/Chemical-Structure.22954.html (accessed 04:50, Apr 26, 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) = 0.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 514.00 (Adapted Stein & Brown method) Melting Pt (deg C): 202.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.12E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -129.5 deg C BP (exp database): -43.8 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7.153e+004 log Kow used: 0.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.73E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.203E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.29 (KowWin est) Log Kaw used: -3.500 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.790 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7066 Biowin2 (Non-Linear Model) : 0.8565 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0090 (weeks ) Biowin4 (Primary Survey Model) : 3.7236 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4909 Biowin6 (MITI Non-Linear Model): 0.0004 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): 7.68E+005 Pa (5.76E+003 mm Hg) Log Koa (Koawin est ): 3.790 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.91E-012 Octanol/air (Koa) model: 1.51E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.41E-010 Mackay model : 3.12E-010 Octanol/air (Koa) model: 1.21E-007 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): 2.27E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.411 Log Koc: 0.645 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 = 0.500 (BCF = 3.162) log Kow used: 0.29 (estimated) Volatilization from Water: Henry LC: 7.73E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 71.21 hours (2.967 days) Half-Life from Model Lake : 854.6 hours (35.61 days) Removal In Wastewater Treatment: Total removal: 2.28 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 0.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 9.67 1e+005 1000 Water 43.7 360 1000 Soil 46.5 720 1000 Sediment 0.0814 3.24e+003 0 Persistence Time: 371 hr
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