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N-{4-[(2-Methyl-2-propanyl)sulfamoyl]phenyl}-2-phenoxybenzamide
CC(C)(C)NS(=O)(=O)c1ccc(cc1)NC(=O)c2ccccc2Oc3ccccc3
InChI=1S/C23H24N2O4S/c1-23(2,3)25-30(27,28)19-15-13-17(14-16-19)24-22(26)20-11-7-8-12-21(20)29-18-9-5-4-6-10-18/h4-16,25H,1-3H3,(H,24,26)
OXDSDHZRHILJSA-UHFFFAOYSA-N
CSID:1002712, http://www.chemspider.com/Chemical-Structure.1002712.html (accessed 09:58, 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) = 4.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 613.41 (Adapted Stein & Brown method) Melting Pt (deg C): 265.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.57E-014 (Modified Grain method) Subcooled liquid VP: 3.29E-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): 0.1642 log Kow used: 4.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.10084 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.08E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.575E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.82 (KowWin est) Log Kaw used: -12.355 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.175 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8317 Biowin2 (Non-Linear Model) : 0.8804 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9586 (months ) Biowin4 (Primary Survey Model) : 3.3693 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0533 Biowin6 (MITI Non-Linear Model): 0.0041 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1491 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): 4.39E-009 Pa (3.29E-011 mm Hg) Log Koa (Koawin est ): 17.175 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 684 Octanol/air (Koa) model: 3.67E+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 = 12.5622 E-12 cm3/molecule-sec Half-Life = 0.851 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.217 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 : 3.14E+004 Log Koc: 4.497 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 = 3.013 (BCF = 1030) log Kow used: 4.82 (estimated) Volatilization from Water: Henry LC: 1.08E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.117E+011 hours (4.654E+009 days) Half-Life from Model Lake : 1.219E+012 hours (5.077E+010 days) Removal In Wastewater Treatment: Total removal: 71.19 percent Total biodegradation: 0.63 percent Total sludge adsorption: 70.56 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 0.00218 20.4 1000 Water 6.82 1.44e+003 1000 Soil 79.2 2.88e+003 1000 Sediment 14 1.3e+004 0 Persistence Time: 3.3e+003 hr
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