Try beta.chemspider
2,6-Dichloro-N-(2-furylmethyl)benzenesulfonamide
c1cc(c(c(c1)Cl)S(=O)(=O)NCc2ccco2)Cl
InChI=1S/C11H9Cl2NO3S/c12-9-4-1-5-10(13)11(9)18(15,16)14-7-8-3-2-6-17-8/h1-6,14H,7H2
LADQPMMRLBFMER-UHFFFAOYSA-N
CSID:608121, http://www.chemspider.com/Chemical-Structure.608121.html (accessed 10:01, May 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) = 3.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 403.39 (Adapted Stein & Brown method) Melting Pt (deg C): 159.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.87E-007 (Modified Grain method) Subcooled liquid VP: 6.88E-006 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): 20.8 log Kow used: 3.20 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 22.371 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.10E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.559E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.20 (KowWin est) Log Kaw used: -5.776 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.976 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2369 Biowin2 (Non-Linear Model) : 0.0046 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1094 (months ) Biowin4 (Primary Survey Model) : 3.0753 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1927 Biowin6 (MITI Non-Linear Model): 0.0021 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5484 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): 0.000917 Pa (6.88E-006 mm Hg) Log Koa (Koawin est ): 8.976 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00327 Octanol/air (Koa) model: 0.000232 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.106 Mackay model : 0.207 Octanol/air (Koa) model: 0.0182 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 109.5289 E-12 cm3/molecule-sec Half-Life = 0.098 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.172 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.157 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.323E+004 Log Koc: 4.121 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 = 1.766 (BCF = 58.36) log Kow used: 3.20 (estimated) Volatilization from Water: Henry LC: 4.1E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.499E+004 hours (1041 days) Half-Life from Model Lake : 2.727E+005 hours (1.136E+004 days) Removal In Wastewater Treatment: Total removal: 7.80 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.66 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 0.0531 2.34 1000 Water 14.1 1.44e+003 1000 Soil 85.3 2.88e+003 1000 Sediment 0.571 1.3e+004 0 Persistence Time: 1.73e+003 hr
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