Try beta.chemspider
2,5-Dichloro-N-(2,5-dichlorophenyl)benzenesulfonamide
c1cc(c(cc1Cl)NS(=O)(=O)c2cc(ccc2Cl)Cl)Cl
InChI=1S/C12H7Cl4NO2S/c13-7-1-3-9(15)11(5-7)17-20(18,19)12-6-8(14)2-4-10(12)16/h1-6,17H
WBEBMRZNBAJGJN-UHFFFAOYSA-N
CSID:911475, http://www.chemspider.com/Chemical-Structure.911475.html (accessed 20:04, Jul 6, 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) = 5.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 449.33 (Adapted Stein & Brown method) Melting Pt (deg C): 188.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.81E-009 (Modified Grain method) Subcooled liquid VP: 5.11E-007 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): 0.1639 log Kow used: 5.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.048651 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.02E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.922E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.21 (KowWin est) Log Kaw used: -5.542 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.752 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1588 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5528 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6510 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3178 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3456 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): 6.81E-005 Pa (5.11E-007 mm Hg) Log Koa (Koawin est ): 10.752 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.044 Octanol/air (Koa) model: 0.0139 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.614 Mackay model : 0.779 Octanol/air (Koa) model: 0.526 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.8472 E-12 cm3/molecule-sec Half-Life = 1.209 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.508 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.696 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7717 Log Koc: 3.887 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 = 3.312 (BCF = 2050) log Kow used: 5.21 (estimated) Volatilization from Water: Henry LC: 7.02E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.607E+004 hours (669.5 days) Half-Life from Model Lake : 1.754E+005 hours (7310 days) Removal In Wastewater Treatment: Total removal: 83.33 percent Total biodegradation: 0.71 percent Total sludge adsorption: 82.62 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0626 29 1000 Water 3.01 4.32e+003 1000 Soil 73.9 8.64e+003 1000 Sediment 23 3.89e+004 0 Persistence Time: 8.06e+003 hr
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