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N-[4-(Diethylamino)phenyl]-4-methylbenzenesulfonamide
CCN(CC)c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)C
InChI=1S/C17H22N2O2S/c1-4-19(5-2)16-10-8-15(9-11-16)18-22(20,21)17-12-6-14(3)7-13-17/h6-13,18H,4-5H2,1-3H3
ONDXXZIDUKAMOL-UHFFFAOYSA-N
CSID:453309, http://www.chemspider.com/Chemical-Structure.453309.html (accessed 11:26, Apr 23, 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) = 4.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 443.83 (Adapted Stein & Brown method) Melting Pt (deg C): 180.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.68E-008 (Modified Grain method) Subcooled liquid VP: 6.99E-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): 1.884 log Kow used: 4.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.26377 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.20E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.736E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.34 (KowWin est) Log Kaw used: -6.531 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.871 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4454 Biowin2 (Non-Linear Model) : 0.0407 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1658 (months ) Biowin4 (Primary Survey Model) : 3.0318 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1132 Biowin6 (MITI Non-Linear Model): 0.0048 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4811 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): 9.32E-005 Pa (6.99E-007 mm Hg) Log Koa (Koawin est ): 10.871 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0322 Octanol/air (Koa) model: 0.0182 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.538 Mackay model : 0.72 Octanol/air (Koa) model: 0.593 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 217.8430 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.589 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.629 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.814E+004 Log Koc: 4.259 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 = 2.641 (BCF = 437.7) log Kow used: 4.34 (estimated) Volatilization from Water: Henry LC: 7.2E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.451E+005 hours (6046 days) Half-Life from Model Lake : 1.583E+006 hours (6.597E+004 days) Removal In Wastewater Treatment: Total removal: 47.43 percent Total biodegradation: 0.46 percent Total sludge adsorption: 46.97 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 0.0221 1.18 1000 Water 11.1 1.44e+003 1000 Soil 81.3 2.88e+003 1000 Sediment 7.56 1.3e+004 0 Persistence Time: 2.01e+003 hr
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