Try beta.chemspider
2,5-Difluorobenzenesulfonamide
c1cc(c(cc1F)S(=O)(=O)N)F
InChI=1S/C6H5F2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)
OLMFEUWXDKZGOO-UHFFFAOYSA-N
CSID:130327, http://www.chemspider.com/Chemical-Structure.130327.html (accessed 09:06, Jun 5, 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) = 0.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 285.41 (Adapted Stein & Brown method) Melting Pt (deg C): 82.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0012 (Modified Grain method) Subcooled liquid VP: 0.00422 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): 1.04e+004 log Kow used: 0.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9092.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.75E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.933E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.77 (KowWin est) Log Kaw used: -4.629 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.399 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9644 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9584 (months ) Biowin4 (Primary Survey Model) : 3.5960 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1969 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5498 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): 0.563 Pa (0.00422 mm Hg) Log Koa (Koawin est ): 5.399 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.33E-006 Octanol/air (Koa) model: 6.15E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000193 Mackay model : 0.000426 Octanol/air (Koa) model: 4.92E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1763 E-12 cm3/molecule-sec Half-Life = 60.685 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000309 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 398.1 Log Koc: 2.600 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: 0.77 (estimated) Volatilization from Water: Henry LC: 5.75E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1417 hours (59.03 days) Half-Life from Model Lake : 1.557E+004 hours (648.8 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.89 1.46e+003 1000 Water 49.8 1.44e+003 1000 Soil 47.2 2.88e+003 1000 Sediment 0.103 1.3e+004 0 Persistence Time: 866 hr
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