N,N,N',N'-Tetra-sec-butyl-4,5-dihydroxy-1,3-benzenedisulfonamide
O=S(=O)(c1cc(cc(O)c1O)S(=O)(=O)N(C(C)CC)C(C)CC)N(C(C)CC)C(C)CC
InChI=1S/C22H40N2O6S2/c1-9-15(5)23(16(6)10-2)31(27,28)19-13-20(25)22(26)21(14-19)32(29,30)24(17(7)11-3)18(8)12-4/h13-18,25-26H,9-12H2,1-8H3
FNNGRSFNLCRWAA-UHFFFAOYSA-N
CSID:8132929, http://www.chemspider.com/Chemical-Structure.8132929.html (accessed 03:36, Apr 19, 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) = 5.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 600.81 (Adapted Stein & Brown method) Melting Pt (deg C): 259.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.55E-015 (Modified Grain method) Subcooled liquid VP: 5.71E-013 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): 0.003255 log Kow used: 5.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.689 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.49E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.087E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.76 (KowWin est) Log Kaw used: -13.992 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.752 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7446 Biowin2 (Non-Linear Model) : 0.1024 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2231 (months ) Biowin4 (Primary Survey Model) : 3.2163 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6105 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3894 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): 7.61E-011 Pa (5.71E-013 mm Hg) Log Koa (Koawin est ): 19.752 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.94E+004 Octanol/air (Koa) model: 1.39E+007 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 = 96.0289 E-12 cm3/molecule-sec Half-Life = 0.111 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.337 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! 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 : 1.412E+006 Log Koc: 6.150 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 = 3.735 (BCF = 5426) log Kow used: 5.76 (estimated) Volatilization from Water: Henry LC: 2.49E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.219E+012 hours (2.175E+011 days) Half-Life from Model Lake : 5.694E+013 hours (2.372E+012 days) Removal In Wastewater Treatment: Total removal: 90.80 percent Total biodegradation: 0.76 percent Total sludge adsorption: 90.04 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 0.00185 2.67 1000 Water 3.13 1.44e+003 1000 Soil 54.2 2.88e+003 1000 Sediment 42.7 1.3e+004 0 Persistence Time: 4.7e+003 hr
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