Try beta.chemspider
2-Chloro-5-(trifluoromethyl)benzenesulfonamide
c1cc(c(cc1C(F)(F)F)S(=O)(=O)N)Cl
InChI=1S/C7H5ClF3NO2S/c8-5-2-1-4(7(9,10)11)3-6(5)15(12,13)14/h1-3H,(H2,12,13,14)
VWGUZQVBGYSBEM-UHFFFAOYSA-N
CSID:3344707, http://www.chemspider.com/Chemical-Structure.3344707.html (accessed 14:02, Jun 16, 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) = 1.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 319.68 (Adapted Stein & Brown method) Melting Pt (deg C): 108.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000104 (Modified Grain method) Subcooled liquid VP: 0.000682 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): 427.8 log Kow used: 1.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 61.368 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.72E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.305E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.98 (KowWin est) Log Kaw used: -3.954 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.934 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0789 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9059 (months ) Biowin4 (Primary Survey Model) : 3.0334 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0227 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1475 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): 0.0909 Pa (0.000682 mm Hg) Log Koa (Koawin est ): 5.934 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.3E-005 Octanol/air (Koa) model: 2.11E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00119 Mackay model : 0.00263 Octanol/air (Koa) model: 1.69E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0589 E-12 cm3/molecule-sec Half-Life = 181.460 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00191 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1754 Log Koc: 3.244 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 = 0.823 (BCF = 6.651) log Kow used: 1.98 (estimated) Volatilization from Water: Henry LC: 2.72E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 348.5 hours (14.52 days) Half-Life from Model Lake : 3937 hours (164 days) Removal In Wastewater Treatment: Total removal: 2.38 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.13 percent Total to Air: 0.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.92 4.36e+003 1000 Water 30 1.44e+003 1000 Soil 66.9 2.88e+003 1000 Sediment 0.116 1.3e+004 0 Persistence Time: 1.11e+003 hr
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