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N-[3-(4,4-Dimethyl-2,5-dioxo-1-imidazolidinyl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide
CC1(C(=O)N(C(=O)N1)CC(CN(c2ccc(cc2)OC)S(=O)(=O)c3ccccc3)O)C
InChI=1S/C21H25N3O6S/c1-21(2)19(26)23(20(27)22-21)13-16(25)14-24(15-9-11-17(30-3)12-10-15)31(28,29)18-7-5-4-6-8-18/h4-12,16,25H,13-14H2,1-3H3,(H,22,27)
OJGGRLOLPMGKMP-UHFFFAOYSA-N
CSID:2158505, http://www.chemspider.com/Chemical-Structure.2158505.html (accessed 22:59, Jul 15, 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) = 1.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 687.03 (Adapted Stein & Brown method) Melting Pt (deg C): 299.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.1E-019 (Modified Grain method) Subcooled liquid VP: 2.46E-016 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): 43.9 log Kow used: 1.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.78715 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.50E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.817E-021 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.81 (KowWin est) Log Kaw used: -16.212 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.022 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7693 Biowin2 (Non-Linear Model) : 0.5240 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1220 (months ) Biowin4 (Primary Survey Model) : 3.2601 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0719 Biowin6 (MITI Non-Linear Model): 0.0031 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1806 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): 3.28E-014 Pa (2.46E-016 mm Hg) Log Koa (Koawin est ): 18.022 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.15E+007 Octanol/air (Koa) model: 2.58E+005 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 = 41.3632 E-12 cm3/molecule-sec Half-Life = 0.259 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.103 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 : 262.1 Log Koc: 2.419 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 = 0.044 (BCF = 1.107) log Kow used: 1.81 (estimated) Volatilization from Water: Henry LC: 1.5E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.257E+014 hours (3.44E+013 days) Half-Life from Model Lake : 9.008E+015 hours (3.753E+014 days) Removal In Wastewater Treatment: Total removal: 2.10 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.01 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 0.0645 6.21 1000 Water 29.1 1.44e+003 1000 Soil 70.8 2.88e+003 1000 Sediment 0.0938 1.3e+004 0 Persistence Time: 1.47e+003 hr
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