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N-Allyl-4-iodobenzenesulfonamide
O=S(=O)(c1ccc(I)cc1)NC\C=C
InChI=1S/C9H10INO2S/c1-2-7-11-14(12,13)9-5-3-8(10)4-6-9/h2-6,11H,1,7H2
JVINXWDULSIWOF-UHFFFAOYSA-N
CSID:9338186, http://www.chemspider.com/Chemical-Structure.9338186.html (accessed 11:45, Aug 5, 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) = 2.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 373.28 (Adapted Stein & Brown method) Melting Pt (deg C): 132.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.09E-006 (Modified Grain method) Subcooled liquid VP: 3.67E-005 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): 33.09 log Kow used: 2.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 30.426 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.82E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.971E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.85 (KowWin est) Log Kaw used: -4.938 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.788 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1649 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4401 (weeks-months) Biowin4 (Primary Survey Model) : 3.2544 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5324 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2598 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): 0.00489 Pa (3.67E-005 mm Hg) Log Koa (Koawin est ): 7.788 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000613 Octanol/air (Koa) model: 1.51E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0217 Mackay model : 0.0468 Octanol/air (Koa) model: 0.0012 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.2611 E-12 cm3/molecule-sec Half-Life = 0.303 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.640 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.0342 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1222 Log Koc: 3.087 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 = 1.494 (BCF = 31.18) log Kow used: 2.85 (estimated) Volatilization from Water: Henry LC: 2.82E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3734 hours (155.6 days) Half-Life from Model Lake : 4.089E+004 hours (1704 days) Removal In Wastewater Treatment: Total removal: 4.61 percent Total biodegradation: 0.11 percent Total sludge adsorption: 4.48 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.223 5.52 1000 Water 19.7 900 1000 Soil 79.7 1.8e+003 1000 Sediment 0.324 8.1e+003 0 Persistence Time: 1.04e+003 hr
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