Try beta.chemspider
N-{[5-(2,4-Difluorophenyl)-2-furyl]methyl}benzenesulfonamide
c1ccc(cc1)S(=O)(=O)NCc2ccc(o2)c3ccc(cc3F)F
InChI=1S/C17H13F2NO3S/c18-12-6-8-15(16(19)10-12)17-9-7-13(23-17)11-20-24(21,22)14-4-2-1-3-5-14/h1-10,20H,11H2
ZNTNJSPNOBWBST-UHFFFAOYSA-N
CSID:2084393, http://www.chemspider.com/Chemical-Structure.2084393.html (accessed 00:04, Jun 6, 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) = 4.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 458.89 (Adapted Stein & Brown method) Melting Pt (deg C): 193.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.03E-009 (Modified Grain method) Subcooled liquid VP: 2.95E-007 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): 2.056 log Kow used: 4.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.7577 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.81E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.125E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.08 (KowWin est) Log Kaw used: -6.496 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.576 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9107 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6353 (recalcitrant) Biowin4 (Primary Survey Model) : 3.3755 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2659 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0926 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): 3.93E-005 Pa (2.95E-007 mm Hg) Log Koa (Koawin est ): 10.576 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0763 Octanol/air (Koa) model: 0.00925 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.734 Mackay model : 0.859 Octanol/air (Koa) model: 0.425 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.2683 E-12 cm3/molecule-sec Half-Life = 0.190 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.281 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.796 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.894E+005 Log Koc: 5.690 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 = 2.440 (BCF = 275.7) log Kow used: 4.08 (estimated) Volatilization from Water: Henry LC: 7.81E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.401E+005 hours (5838 days) Half-Life from Model Lake : 1.529E+006 hours (6.37E+004 days) Removal In Wastewater Treatment: Total removal: 33.85 percent Total biodegradation: 0.35 percent Total sludge adsorption: 33.50 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 0.0229 4.56 1000 Water 5.22 4.32e+003 1000 Soil 92 8.64e+003 1000 Sediment 2.76 3.89e+004 0 Persistence Time: 5.8e+003 hr
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