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N-(3,4-Dichlorophenyl)sulfuric diamide
c1cc(c(cc1NS(=O)(=O)N)Cl)Cl
InChI=1S/C6H6Cl2N2O2S/c7-5-2-1-4(3-6(5)8)10-13(9,11)12/h1-3,10H,(H2,9,11,12)
FRUDRFVYVQNPQY-UHFFFAOYSA-N
CSID:15488078, http://www.chemspider.com/Chemical-Structure.15488078.html (accessed 10:25, May 19, 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) = 1.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 358.55 (Adapted Stein & Brown method) Melting Pt (deg C): 132.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.84E-006 (Modified Grain method) Subcooled liquid VP: 8.27E-005 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): 831.4 log Kow used: 1.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1648.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.68E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.610E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.76 (KowWin est) Log Kaw used: -6.403 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.163 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2679 Biowin2 (Non-Linear Model) : 0.0116 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2532 (weeks-months) Biowin4 (Primary Survey Model) : 3.1692 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0319 Biowin6 (MITI Non-Linear Model): 0.0109 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): 0.011 Pa (8.27E-005 mm Hg) Log Koa (Koawin est ): 8.163 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000272 Octanol/air (Koa) model: 3.57E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00973 Mackay model : 0.0213 Octanol/air (Koa) model: 0.00285 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.7615 E-12 cm3/molecule-sec Half-Life = 1.221 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.649 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0155 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 118.7 Log Koc: 2.075 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 = 0.655 (BCF = 4.522) log Kow used: 1.76 (estimated) Volatilization from Water: Henry LC: 9.68E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.392E+004 hours (3913 days) Half-Life from Model Lake : 1.025E+006 hours (4.269E+004 days) Removal In Wastewater Treatment: Total removal: 2.08 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.98 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 0.096 29.3 1000 Water 28.3 900 1000 Soil 71.6 1.8e+003 1000 Sediment 0.0856 8.1e+003 0 Persistence Time: 1.24e+003 hr
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