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4-Methyl-N-(1-naphthyl)benzenesulfonamide
Cc1ccc(cc1)S(=O)(=O)Nc2cccc3c2cccc3
InChI=1S/C17H15NO2S/c1-13-9-11-15(12-10-13)21(19,20)18-17-8-4-6-14-5-2-3-7-16(14)17/h2-12,18H,1H3
FQSVUFOEUWDJPO-UHFFFAOYSA-N
CSID:211782, http://www.chemspider.com/Chemical-Structure.211782.html (accessed 14:06, Jun 16, 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) = 4.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 457.04 (Adapted Stein & Brown method) Melting Pt (deg C): 186.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.67E-009 (Modified Grain method) Subcooled liquid VP: 3.28E-007 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): 2.426 log Kow used: 4.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.12065 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.51E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.076E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.36 (KowWin est) Log Kaw used: -5.989 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.349 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6606 Biowin2 (Non-Linear Model) : 0.3459 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4672 (weeks-months) Biowin4 (Primary Survey Model) : 3.3502 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0407 Biowin6 (MITI Non-Linear Model): 0.0118 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5854 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): 4.37E-005 Pa (3.28E-007 mm Hg) Log Koa (Koawin est ): 10.349 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0686 Octanol/air (Koa) model: 0.00548 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.712 Mackay model : 0.846 Octanol/air (Koa) model: 0.305 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 201.2243 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.638 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.779 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.182E+005 Log Koc: 5.073 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 = 2.654 (BCF = 450.5) log Kow used: 4.36 (estimated) Volatilization from Water: Henry LC: 2.51E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.023E+004 hours (1676 days) Half-Life from Model Lake : 4.39E+005 hours (1.829E+004 days) Removal In Wastewater Treatment: Total removal: 48.51 percent Total biodegradation: 0.46 percent Total sludge adsorption: 48.05 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 0.046 1.28 1000 Water 15.3 900 1000 Soil 76.4 1.8e+003 1000 Sediment 8.31 8.1e+003 0 Persistence Time: 1.21e+003 hr
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