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N-Benzyl-2,5-dichlorobenzenesulfonamide
c1ccc(cc1)CNS(=O)(=O)c2cc(ccc2Cl)Cl
InChI=1S/C13H11Cl2NO2S/c14-11-6-7-12(15)13(8-11)19(17,18)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2
RYROHXPWUSBCHL-UHFFFAOYSA-N
CSID:728702, http://www.chemspider.com/Chemical-Structure.728702.html (accessed 03:25, 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) = 3.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 423.54 (Adapted Stein & Brown method) Melting Pt (deg C): 167.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.48E-008 (Modified Grain method) Subcooled liquid VP: 2.21E-006 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): 5.256 log Kow used: 3.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.1144 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.11E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.921E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.83 (KowWin est) Log Kaw used: -5.775 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.605 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3603 Biowin2 (Non-Linear Model) : 0.0238 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1092 (months ) Biowin4 (Primary Survey Model) : 3.0657 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2062 Biowin6 (MITI Non-Linear Model): 0.0020 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5211 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): 0.000295 Pa (2.21E-006 mm Hg) Log Koa (Koawin est ): 9.605 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0102 Octanol/air (Koa) model: 0.000989 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.269 Mackay model : 0.449 Octanol/air (Koa) model: 0.0733 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.6169 E-12 cm3/molecule-sec Half-Life = 0.785 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.426 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.359 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.39E+004 Log Koc: 4.378 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 = 2.251 (BCF = 178.4) log Kow used: 3.83 (estimated) Volatilization from Water: Henry LC: 4.11E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.533E+004 hours (1056 days) Half-Life from Model Lake : 2.765E+005 hours (1.152E+004 days) Removal In Wastewater Treatment: Total removal: 22.95 percent Total biodegradation: 0.26 percent Total sludge adsorption: 22.69 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 0.147 18.9 1000 Water 10.4 1.44e+003 1000 Soil 87.3 2.88e+003 1000 Sediment 2.06 1.3e+004 0 Persistence Time: 2.3e+003 hr
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