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N,N-Dipropyl-2-naphthalenesulfonamide
CCCN(CCC)S(=O)(=O)c1ccc2ccccc2c1
InChI=1S/C16H21NO2S/c1-3-11-17(12-4-2)20(18,19)16-10-9-14-7-5-6-8-15(14)13-16/h5-10,13H,3-4,11-12H2,1-2H3
SFWGSAJDYFQOSR-UHFFFAOYSA-N
CSID:13042348, http://www.chemspider.com/Chemical-Structure.13042348.html (accessed 19:20, May 21, 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) = 4.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 420.50 (Adapted Stein & Brown method) Melting Pt (deg C): 155.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.21E-007 (Modified Grain method) Subcooled liquid VP: 2.63E-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): 3.653 log Kow used: 4.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.52021 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.17E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.270E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.19 (KowWin est) Log Kaw used: -4.598 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.788 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6088 Biowin2 (Non-Linear Model) : 0.2443 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5552 (weeks-months) Biowin4 (Primary Survey Model) : 3.4273 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1012 Biowin6 (MITI Non-Linear Model): 0.0359 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1129 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): 0.000351 Pa (2.63E-006 mm Hg) Log Koa (Koawin est ): 8.788 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00856 Octanol/air (Koa) model: 0.000151 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.236 Mackay model : 0.406 Octanol/air (Koa) model: 0.0119 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.6183 E-12 cm3/molecule-sec Half-Life = 0.374 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.485 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.321 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.756E+004 Log Koc: 4.575 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 = 2.525 (BCF = 334.7) log Kow used: 4.19 (estimated) Volatilization from Water: Henry LC: 6.17E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1622 hours (67.57 days) Half-Life from Model Lake : 1.783E+004 hours (743.1 days) Removal In Wastewater Treatment: Total removal: 39.43 percent Total biodegradation: 0.39 percent Total sludge adsorption: 39.02 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.279 8.97 1000 Water 15.5 900 1000 Soil 78.6 1.8e+003 1000 Sediment 5.69 8.1e+003 0 Persistence Time: 1.21e+003 hr
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