Try beta.chemspider
N,N-Dichloro-4-methylbenzenesulfonamide
Cc1ccc(cc1)S(=O)(=O)N(Cl)Cl
InChI=1S/C7H7Cl2NO2S/c1-6-2-4-7(5-3-6)13(11,12)10(8)9/h2-5H,1H3
ARGDYOIRHYLIMT-UHFFFAOYSA-N
CSID:61371, http://www.chemspider.com/Chemical-Structure.61371.html (accessed 07:38, Apr 23, 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) = 0.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 325.16 (Adapted Stein & Brown method) Melting Pt (deg C): 101.34 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000142 (Modified Grain method) MP (exp database): 83 deg C Subcooled liquid VP: 0.000508 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): 1.003e+004 log Kow used: 0.50 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 82.1 mg/L (25 deg C) Exper. Ref: BEILSTEIN Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4456.2 mg/L Wat Sol (Exper. database match) = 82.10 Exper. Ref: BEILSTEIN ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.72E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.473E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.50 (KowWin est) Log Kaw used: -2.153 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.653 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6879 Biowin2 (Non-Linear Model) : 0.5440 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5937 (weeks-months) Biowin4 (Primary Survey Model) : 3.4328 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0722 Biowin6 (MITI Non-Linear Model): 0.0261 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0826 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): 0.0677 Pa (0.000508 mm Hg) Log Koa (Koawin est ): 2.653 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.43E-005 Octanol/air (Koa) model: 1.1E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0016 Mackay model : 0.00353 Octanol/air (Koa) model: 8.83E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.2243 E-12 cm3/molecule-sec Half-Life = 8.737 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 104.839 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00256 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 764.1 Log Koc: 2.883 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: 0.50 (estimated) Volatilization from Water: Henry LC: 0.000172 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.856 hours Half-Life from Model Lake : 204.7 hours (8.53 days) Removal In Wastewater Treatment: Total removal: 9.52 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.65 percent Total to Air: 7.78 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 17.2 210 1000 Water 49.9 900 1000 Soil 32.8 1.8e+003 1000 Sediment 0.0988 8.1e+003 0 Persistence Time: 303 hr
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