Try beta.chemspider
4-Amino-6-chloro-N,N'-diphenyl-1,3-benzenedisulfonamide
c1ccc(cc1)NS(=O)(=O)c2cc(c(cc2N)Cl)S(=O)(=O)Nc3ccccc3
InChI=1S/C18H16ClN3O4S2/c19-15-11-16(20)18(28(25,26)22-14-9-5-2-6-10-14)12-17(15)27(23,24)21-13-7-3-1-4-8-13/h1-12,21-22H,20H2
FGDWGOVNMCIHGG-UHFFFAOYSA-N
CSID:942515, http://www.chemspider.com/Chemical-Structure.942515.html (accessed 22:18, Aug 2, 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) = 4.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 623.86 (Adapted Stein & Brown method) Melting Pt (deg C): 270.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.5E-014 (Modified Grain method) Subcooled liquid VP: 1.75E-011 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): 0.05857 log Kow used: 4.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0030616 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.64E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.443E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.02 (KowWin est) Log Kaw used: -12.967 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.987 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3791 Biowin2 (Non-Linear Model) : 0.0284 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9339 (months ) Biowin4 (Primary Survey Model) : 2.9520 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6436 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5528 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): 2.33E-009 Pa (1.75E-011 mm Hg) Log Koa (Koawin est ): 16.987 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.29E+003 Octanol/air (Koa) model: 2.38E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 88.7772 E-12 cm3/molecule-sec Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.446 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.145E+005 Log Koc: 5.059 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 = 2.393 (BCF = 247.3) log Kow used: 4.02 (estimated) Volatilization from Water: Henry LC: 2.64E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.641E+011 hours (1.934E+010 days) Half-Life from Model Lake : 5.063E+012 hours (2.11E+011 days) Removal In Wastewater Treatment: Total removal: 30.99 percent Total biodegradation: 0.33 percent Total sludge adsorption: 30.66 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 0.00116 2.89 1000 Water 8.54 1.44e+003 1000 Soil 88.8 2.88e+003 1000 Sediment 2.69 1.3e+004 0 Persistence Time: 2.9e+003 hr
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