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N-(4-Aminobutyl)-2-naphthalenesulfonamide
c1ccc2cc(ccc2c1)S(=O)(=O)NCCCCN
InChI=1S/C14H18N2O2S/c15-9-3-4-10-16-19(17,18)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11,16H,3-4,9-10,15H2
BUGAJERDTXSWQA-UHFFFAOYSA-N
CSID:4147, http://www.chemspider.com/Chemical-Structure.4147.html (accessed 14:41, 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) = 2.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 438.47 (Adapted Stein & Brown method) Melting Pt (deg C): 180.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.3E-008 (Modified Grain method) Subcooled liquid VP: 9.48E-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): 3175 log Kow used: 2.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 299.11 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.18E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.653E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.01 (KowWin est) Log Kaw used: -9.050 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.060 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7689 Biowin2 (Non-Linear Model) : 0.5413 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6084 (weeks-months) Biowin4 (Primary Survey Model) : 3.4894 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1725 Biowin6 (MITI Non-Linear Model): 0.0378 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4493 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): 0.000126 Pa (9.48E-007 mm Hg) Log Koa (Koawin est ): 11.060 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0237 Octanol/air (Koa) model: 0.0282 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.462 Mackay model : 0.655 Octanol/air (Koa) model: 0.693 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.8121 E-12 cm3/molecule-sec Half-Life = 0.215 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.577 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.558 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.142E+004 Log Koc: 4.331 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 = 0.851 (BCF = 7.098) log Kow used: 2.01 (estimated) Volatilization from Water: Henry LC: 2.18E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.481E+007 hours (1.867E+006 days) Half-Life from Model Lake : 4.888E+008 hours (2.037E+007 days) Removal In Wastewater Treatment: Total removal: 2.25 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.16 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 0.000445 5.15 1000 Water 22.9 900 1000 Soil 77 1.8e+003 1000 Sediment 0.0893 8.1e+003 0 Persistence Time: 1.42e+003 hr
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