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Hexafluoro-lambda~6~-sulfane
FS(F)(F)(F)(F)F
InChI=1S/F6S/c1-7(2,3,4,5)6
SFZCNBIFKDRMGX-UHFFFAOYSA-N
CSID:16425, http://www.chemspider.com/Chemical-Structure.16425.html (accessed 08:34, Nov 28, 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) = 1.64 Log Kow (Exper. database match) = 1.68 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 473.49 (Adapted Stein & Brown method) Melting Pt (deg C): 101.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.28E-007 (Modified Grain method) MP (exp database): -50.8 deg C VP (exp database): 9.03E+04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2901 log Kow used: 1.68 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 31 mg/L (25 deg C) Exper. Ref: GIARDINO,NJ ET AL. (1988) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 29223 mg/L Wat Sol (Exper. database match) = 31.00 Exper. Ref: GIARDINO,NJ ET AL. (1988) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.08E+000 atm-m3/mole Group Method: Incomplete Exper Database: 4.52E+00 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.479E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.68 (exp database) Log Kaw used: 2.267 (exp database) Log Koa (KOAWIN v1.10 estimate): -0.587 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6780 Biowin2 (Non-Linear Model) : 0.7180 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8764 (weeks ) Biowin4 (Primary Survey Model) : 3.6370 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3819 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): 1.2E+007 Pa (9.03E+004 mm Hg) Log Koa (Koawin est ): -0.587 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.49E-013 Octanol/air (Koa) model: 6.35E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9E-012 Mackay model : 1.99E-011 Octanol/air (Koa) model: 5.08E-012 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): 1.45E-011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 84.33 Log Koc: 1.926 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 = 0.594 (BCF = 3.923) log Kow used: 1.68 (expkow database) Volatilization from Water: Henry LC: 4.52 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.233 hours Half-Life from Model Lake : 114.8 hours (4.783 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.94 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.36 percent Total to Air: 99.57 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 46.1 1e+005 1000 Water 51.9 360 1000 Soil 1.83 720 1000 Sediment 0.138 3.24e+003 0 Persistence Time: 163 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.64 Log Kow (Exper. database match) = 1.68 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 473.49 (Adapted Stein & Brown method) Melting Pt (deg C): 101.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.28E-007 (Modified Grain method) MP (exp database): -50.8 deg C VP (exp database): 9.03E+04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2901 log Kow used: 1.68 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 31 mg/L (25 deg C) Exper. Ref: GIARDINO,NJ ET AL. (1988) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 29223 mg/L Wat Sol (Exper. database match) = 31.00 Exper. Ref: GIARDINO,NJ ET AL. (1988) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.08E+000 atm-m3/mole Group Method: Incomplete Exper Database: 4.52E+00 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.479E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.68 (exp database) Log Kaw used: 2.267 (exp database) Log Koa (KOAWIN v1.10 estimate): -0.587 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6780 Biowin2 (Non-Linear Model) : 0.7180 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8764 (weeks ) Biowin4 (Primary Survey Model) : 3.6370 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3819 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): 1.2E+007 Pa (9.03E+004 mm Hg) Log Koa (Koawin est ): -0.587 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.49E-013 Octanol/air (Koa) model: 6.35E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9E-012 Mackay model : 1.99E-011 Octanol/air (Koa) model: 5.08E-012 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): 1.45E-011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 84.33 Log Koc: 1.926 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 = 0.594 (BCF = 3.923) log Kow used: 1.68 (expkow database) Volatilization from Water: Henry LC: 4.52 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.233 hours Half-Life from Model Lake : 114.8 hours (4.783 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.94 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.36 percent Total to Air: 99.57 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 46.1 1e+005 1000 Water 51.9 360 1000 Soil 1.83 720 1000 Sediment 0.138 3.24e+003 0 Persistence Time: 163 hr
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