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4-(2-Methyl-2-propanyl)-N-(1-naphthyl)benzenesulfonamide
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2cccc3c2cccc3
InChI=1S/C20H21NO2S/c1-20(2,3)16-11-13-17(14-12-16)24(22,23)21-19-10-6-8-15-7-4-5-9-18(15)19/h4-14,21H,1-3H3
CWWXLFFHLPFZSM-UHFFFAOYSA-N
CSID:730344, http://www.chemspider.com/Chemical-Structure.730344.html (accessed 08:40, May 20, 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) = 5.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 480.26 (Adapted Stein & Brown method) Melting Pt (deg C): 203.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.12E-009 (Modified Grain method) Subcooled liquid VP: 8.63E-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): 0.09391 log Kow used: 5.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0083007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.87E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.327E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.72 (KowWin est) Log Kaw used: -5.620 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.340 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4020 Biowin2 (Non-Linear Model) : 0.0283 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2369 (months ) Biowin4 (Primary Survey Model) : 3.2045 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1385 Biowin6 (MITI Non-Linear Model): 0.0041 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7866 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): 1.15E-005 Pa (8.63E-008 mm Hg) Log Koa (Koawin est ): 11.340 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.261 Octanol/air (Koa) model: 0.0537 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.904 Mackay model : 0.954 Octanol/air (Koa) model: 0.811 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 201.4203 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.637 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.929 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.21E+005 Log Koc: 5.717 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 = 3.703 (BCF = 5041) log Kow used: 5.72 (estimated) Volatilization from Water: Henry LC: 5.87E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.838E+004 hours (765.8 days) Half-Life from Model Lake : 2.006E+005 hours (8360 days) Removal In Wastewater Treatment: Total removal: 90.50 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.74 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 0.017 1.27 1000 Water 4.12 1.44e+003 1000 Soil 43.2 2.88e+003 1000 Sediment 52.7 1.3e+004 0 Persistence Time: 3.36e+003 hr
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