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N-(4-Ethoxyphenyl)-1-phenylmethanesulfonamide
CCOc1ccc(cc1)NS(=O)(=O)Cc2ccccc2
InChI=1S/C15H17NO3S/c1-2-19-15-10-8-14(9-11-15)16-20(17,18)12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3
NEIIIALRQCTFQS-UHFFFAOYSA-N
CSID:582471, http://www.chemspider.com/Chemical-Structure.582471.html (accessed 00:42, Apr 24, 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) = 3.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 421.41 (Adapted Stein & Brown method) Melting Pt (deg C): 161.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1E-007 (Modified Grain method) Subcooled liquid VP: 2.5E-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): 15.05 log Kow used: 3.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15.405 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.39E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.547E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.47 (KowWin est) Log Kaw used: -6.520 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.990 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8688 Biowin2 (Non-Linear Model) : 0.9488 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5192 (weeks-months) Biowin4 (Primary Survey Model) : 3.5094 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1086 Biowin6 (MITI Non-Linear Model): 0.0408 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3125 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): 0.000333 Pa (2.5E-006 mm Hg) Log Koa (Koawin est ): 9.990 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.009 Octanol/air (Koa) model: 0.0024 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.245 Mackay model : 0.419 Octanol/air (Koa) model: 0.161 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 55.2031 E-12 cm3/molecule-sec Half-Life = 0.194 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.325 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.332 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2522 Log Koc: 3.402 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 = 1.970 (BCF = 93.4) log Kow used: 3.47 (estimated) Volatilization from Water: Henry LC: 7.39E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.352E+005 hours (5635 days) Half-Life from Model Lake : 1.475E+006 hours (6.148E+004 days) Removal In Wastewater Treatment: Total removal: 12.37 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.19 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 0.0537 4.65 1000 Water 13.4 900 1000 Soil 85.6 1.8e+003 1000 Sediment 0.906 8.1e+003 0 Persistence Time: 1.53e+003 hr
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