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N-(4-Chloro-2,5-dimethoxyphenyl)-2-naphthalenesulfonamide
COc1cc(c(cc1Cl)OC)NS(=O)(=O)c2ccc3ccccc3c2
InChI=1S/C18H16ClNO4S/c1-23-17-11-16(18(24-2)10-15(17)19)20-25(21,22)14-8-7-12-5-3-4-6-13(12)9-14/h3-11,20H,1-2H3
WBYWRJNHBUZIJC-UHFFFAOYSA-N
CSID:960249, http://www.chemspider.com/Chemical-Structure.960249.html (accessed 15:19, Jun 16, 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) = 4.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 511.45 (Adapted Stein & Brown method) Melting Pt (deg C): 217.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.23E-010 (Modified Grain method) Subcooled liquid VP: 1.41E-008 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): 0.4807 log Kow used: 4.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.023133 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.90E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.272E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.61 (KowWin est) Log Kaw used: -8.618 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.228 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6491 Biowin2 (Non-Linear Model) : 0.5311 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0413 (months ) Biowin4 (Primary Survey Model) : 3.2915 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0595 Biowin6 (MITI Non-Linear Model): 0.0079 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2282 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): 1.88E-006 Pa (1.41E-008 mm Hg) Log Koa (Koawin est ): 13.228 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.6 Octanol/air (Koa) model: 4.15 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.983 Mackay model : 0.992 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 125.0946 E-12 cm3/molecule-sec Half-Life = 0.086 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.026 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.988 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.022E+004 Log Koc: 4.009 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 = 2.853 (BCF = 713) log Kow used: 4.61 (estimated) Volatilization from Water: Henry LC: 5.9E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.929E+007 hours (8.037E+005 days) Half-Life from Model Lake : 2.104E+008 hours (8.768E+006 days) Removal In Wastewater Treatment: Total removal: 61.67 percent Total biodegradation: 0.56 percent Total sludge adsorption: 61.10 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 0.0153 2.05 1000 Water 8.6 1.44e+003 1000 Soil 80.4 2.88e+003 1000 Sediment 10.9 1.3e+004 0 Persistence Time: 2.62e+003 hr
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