Try beta.chemspider
2,4-Dimethyl-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
Cc1ccc(c(c1)C)S(=O)(=O)Nc2ccc3c(c2)sc(=O)o3
InChI=1S/C15H13NO4S2/c1-9-3-6-14(10(2)7-9)22(18,19)16-11-4-5-12-13(8-11)21-15(17)20-12/h3-8,16H,1-2H3
OCNOLNMRHMUDHF-UHFFFAOYSA-N
CSID:607544, http://www.chemspider.com/Chemical-Structure.607544.html (accessed 07:55, Aug 4, 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) = 2.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 511.17 (Adapted Stein & Brown method) Melting Pt (deg C): 217.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.25E-010 (Modified Grain method) Subcooled liquid VP: 1.43E-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): 34.46 log Kow used: 2.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 17.887 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.17E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.601E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.74 (KowWin est) Log Kaw used: -5.768 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.508 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6972 Biowin2 (Non-Linear Model) : 0.3544 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3083 (weeks-months) Biowin4 (Primary Survey Model) : 3.2268 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1595 Biowin6 (MITI Non-Linear Model): 0.0022 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4143 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): 1.91E-006 Pa (1.43E-008 mm Hg) Log Koa (Koawin est ): 8.508 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.57 Octanol/air (Koa) model: 7.91E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.983 Mackay model : 0.992 Octanol/air (Koa) model: 0.00629 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 165.9530 E-12 cm3/molecule-sec Half-Life = 0.064 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.773 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.985000 E-17 cm3/molecule-sec Half-Life = 1.163 Days (at 7E11 mol/cm3) Half-Life = 27.923 Hrs Fraction sorbed to airborne particulates (phi): 0.987 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4836 Log Koc: 3.684 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 = 1.412 (BCF = 25.83) log Kow used: 2.74 (estimated) Volatilization from Water: Henry LC: 4.17E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.571E+004 hours (1071 days) Half-Life from Model Lake : 2.807E+005 hours (1.169E+004 days) Removal In Wastewater Treatment: Total removal: 4.00 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.89 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 0.0641 1.47 1000 Water 20.4 900 1000 Soil 79.2 1.8e+003 1000 Sediment 0.267 8.1e+003 0 Persistence Time: 1.02e+003 hr
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