Try beta.chemspider
N-Fluorobenzenesulfonamide
c1ccc(cc1)S(=O)(=O)NF
InChI=1S/C6H6FNO2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H
CJYQZTZSYREQBD-UHFFFAOYSA-N
CSID:10796748, http://www.chemspider.com/Chemical-Structure.10796748.html (accessed 16:59, May 10, 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): 281.91 (Adapted Stein & Brown method) Melting Pt (deg C): 71.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00183 (Modified Grain method) Subcooled liquid VP: 0.00507 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): 3.291e+004 log Kow used: 0.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16173 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.44E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.282E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.29 (KowWin est) Log Kaw used: -3.230 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.520 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7922 Biowin2 (Non-Linear Model) : 0.9105 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8341 (weeks ) Biowin4 (Primary Survey Model) : 3.5999 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2495 Biowin6 (MITI Non-Linear Model): 0.0027 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5771 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): 0.676 Pa (0.00507 mm Hg) Log Koa (Koawin est ): 3.520 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.44E-006 Octanol/air (Koa) model: 8.13E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00016 Mackay model : 0.000355 Octanol/air (Koa) model: 6.5E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4169 E-12 cm3/molecule-sec Half-Life = 25.658 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000258 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 295.3 Log Koc: 2.470 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: 1.44E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 55.16 hours (2.299 days) Half-Life from Model Lake : 712.8 hours (29.7 days) Removal In Wastewater Treatment: Total removal: 2.64 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.80 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 9.81 616 1000 Water 44 360 1000 Soil 46.1 720 1000 Sediment 0.0821 3.24e+003 0 Persistence Time: 354 hr
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