Try beta.chemspider
N,N,2,6-Tetrachlorobenzenesulfonamide
c1cc(c(c(c1)Cl)S(=O)(=O)N(Cl)Cl)Cl
InChI=1S/C6H3Cl4NO2S/c7-4-2-1-3-5(8)6(4)14(12,13)11(9)10/h1-3H
JYWSDYWYSRQLKG-UHFFFAOYSA-N
CSID:206278, http://www.chemspider.com/Chemical-Structure.206278.html (accessed 11:11, May 2, 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) = 1.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 352.17 (Adapted Stein & Brown method) Melting Pt (deg C): 128.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.08E-005 (Modified Grain method) Subcooled liquid VP: 0.000117 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): 1142 log Kow used: 1.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 758.42 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.55E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.670E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.24 (KowWin est) Log Kaw used: -2.456 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.696 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2423 Biowin2 (Non-Linear Model) : 0.0054 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1341 (months ) Biowin4 (Primary Survey Model) : 3.0915 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1284 Biowin6 (MITI Non-Linear Model): 0.0023 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2548 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): 0.0156 Pa (0.000117 mm Hg) Log Koa (Koawin est ): 3.696 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000192 Octanol/air (Koa) model: 1.22E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0069 Mackay model : 0.0152 Octanol/air (Koa) model: 9.75E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2063 E-12 cm3/molecule-sec Half-Life = 51.849 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1290 Log Koc: 3.110 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 = 0.256 (BCF = 1.804) log Kow used: 1.24 (estimated) Volatilization from Water: Henry LC: 8.55E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 13.51 hours Half-Life from Model Lake : 291.4 hours (12.14 days) Removal In Wastewater Treatment: Total removal: 6.10 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 percent Total to Air: 4.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 11.8 1.24e+003 1000 Water 44.6 1.44e+003 1000 Soil 43.5 2.88e+003 1000 Sediment 0.102 1.3e+004 0 Persistence Time: 496 hr
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