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N-(4-Anilinophenyl)-4-methoxybenzenesulfonamide
COc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Nc3ccccc3
InChI=1S/C19H18N2O3S/c1-24-18-11-13-19(14-12-18)25(22,23)21-17-9-7-16(8-10-17)20-15-5-3-2-4-6-15/h2-14,20-21H,1H3
MKFDTMOSDYAIGN-UHFFFAOYSA-N
CSID:873505, http://www.chemspider.com/Chemical-Structure.873505.html (accessed 13:20, Apr 28, 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) = 4.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 504.04 (Adapted Stein & Brown method) Melting Pt (deg C): 214.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.08E-010 (Modified Grain method) Subcooled liquid VP: 2.17E-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): 2.186 log Kow used: 4.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.24144 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.69E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.437E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.01 (KowWin est) Log Kaw used: -9.959 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.969 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6051 Biowin2 (Non-Linear Model) : 0.5290 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2449 (months ) Biowin4 (Primary Survey Model) : 3.3100 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1975 Biowin6 (MITI Non-Linear Model): 0.0024 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3657 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): 2.89E-006 Pa (2.17E-008 mm Hg) Log Koa (Koawin est ): 13.969 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.04 Octanol/air (Koa) model: 22.9 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.974 Mackay model : 0.988 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 200.8296 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.639 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.981 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.228E+004 Log Koc: 4.718 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 = 2.389 (BCF = 244.7) log Kow used: 4.01 (estimated) Volatilization from Water: Henry LC: 2.69E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.098E+008 hours (1.707E+007 days) Half-Life from Model Lake : 4.47E+009 hours (1.863E+008 days) Removal In Wastewater Treatment: Total removal: 30.52 percent Total biodegradation: 0.32 percent Total sludge adsorption: 30.20 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 0.000721 1.28 1000 Water 8.58 1.44e+003 1000 Soil 88.8 2.88e+003 1000 Sediment 2.64 1.3e+004 0 Persistence Time: 2.89e+003 hr
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