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2-(2,5-Dimethylphenoxy)-N-{4-[methyl(phenyl)sulfamoyl]phenyl}acetamide
Cc1ccc(c(c1)OCC(=O)Nc2ccc(cc2)S(=O)(=O)N(C)c3ccccc3)C
InChI=1S/C23H24N2O4S/c1-17-9-10-18(2)22(15-17)29-16-23(26)24-19-11-13-21(14-12-19)30(27,28)25(3)20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,24,26)
MUXGJSMGUFQGRQ-UHFFFAOYSA-N
CSID:1031938, http://www.chemspider.com/Chemical-Structure.1031938.html (accessed 20:22, Apr 26, 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) = 5.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 614.58 (Adapted Stein & Brown method) Melting Pt (deg C): 266.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.94E-014 (Modified Grain method) Subcooled liquid VP: 3.07E-011 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): 0.02356 log Kow used: 5.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.004122 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.04E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.645E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.81 (KowWin est) Log Kaw used: -11.079 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.889 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1249 Biowin2 (Non-Linear Model) : 0.9924 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0210 (months ) Biowin4 (Primary Survey Model) : 3.3856 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0024 Biowin6 (MITI Non-Linear Model): 0.0066 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2779 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): 4.09E-009 Pa (3.07E-011 mm Hg) Log Koa (Koawin est ): 16.889 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 733 Octanol/air (Koa) model: 1.9E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 89.6987 E-12 cm3/molecule-sec Half-Life = 0.119 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.431 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.013E+004 Log Koc: 4.955 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 = 3.773 (BCF = 5934) log Kow used: 5.81 (estimated) Volatilization from Water: Henry LC: 2.04E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.913E+009 hours (2.464E+008 days) Half-Life from Model Lake : 6.451E+010 hours (2.688E+009 days) Removal In Wastewater Treatment: Total removal: 91.15 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.38 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 0.0158 2.86 1000 Water 3.27 1.44e+003 1000 Soil 48.2 2.88e+003 1000 Sediment 48.5 1.3e+004 0 Persistence Time: 4.17e+003 hr
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