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N-(2-Hydroxyphenyl)-2,5-dimethoxybenzenesulfonamide
COc1ccc(c(c1)S(=O)(=O)Nc2ccccc2O)OC
InChI=1S/C14H15NO5S/c1-19-10-7-8-13(20-2)14(9-10)21(17,18)15-11-5-3-4-6-12(11)16/h3-9,15-16H,1-2H3
GWEIKCNJAGZMLG-UHFFFAOYSA-N
CSID:2928670, http://www.chemspider.com/Chemical-Structure.2928670.html (accessed 22:40, May 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) = 2.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 456.69 (Adapted Stein & Brown method) Melting Pt (deg C): 192.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.43E-010 (Modified Grain method) Subcooled liquid VP: 5.38E-008 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): 435.1 log Kow used: 2.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 149.48 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.48E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.822E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.31 (KowWin est) Log Kaw used: -11.460 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.770 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9799 Biowin2 (Non-Linear Model) : 0.9824 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4557 (weeks-months) Biowin4 (Primary Survey Model) : 3.5954 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3049 Biowin6 (MITI Non-Linear Model): 0.0839 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4457 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): 7.17E-006 Pa (5.38E-008 mm Hg) Log Koa (Koawin est ): 13.770 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.418 Octanol/air (Koa) model: 14.5 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.938 Mackay model : 0.971 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.3770 E-12 cm3/molecule-sec Half-Life = 0.177 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.126 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.954 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 920.3 Log Koc: 2.964 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 = 1.082 (BCF = 12.07) log Kow used: 2.31 (estimated) Volatilization from Water: Henry LC: 8.48E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.214E+010 hours (5.06E+008 days) Half-Life from Model Lake : 1.325E+011 hours (5.52E+009 days) Removal In Wastewater Treatment: Total removal: 2.66 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.56 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 1.63e-005 4.25 1000 Water 18.2 900 1000 Soil 81.7 1.8e+003 1000 Sediment 0.108 8.1e+003 0 Persistence Time: 1.57e+003 hr
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