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1-Phenyl-N-[2-(trifluoromethyl)phenyl]methanesulfonamide
c1ccc(cc1)CS(=O)(=O)Nc2ccccc2C(F)(F)F
InChI=1S/C14H12F3NO2S/c15-14(16,17)12-8-4-5-9-13(12)18-21(19,20)10-11-6-2-1-3-7-11/h1-9,18H,10H2
ATDDBEUEJPQKCM-UHFFFAOYSA-N
CSID:3685651, http://www.chemspider.com/Chemical-Structure.3685651.html (accessed 17:48, Jul 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) = 3.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 389.56 (Adapted Stein & Brown method) Melting Pt (deg C): 147.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.6E-007 (Modified Grain method) Subcooled liquid VP: 1.49E-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): 5.055 log Kow used: 3.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.2732 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.18E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.058E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.86 (KowWin est) Log Kaw used: -4.476 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.336 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2051 Biowin2 (Non-Linear Model) : 0.0048 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0114 (months ) Biowin4 (Primary Survey Model) : 3.1233 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1555 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1881 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): 0.00199 Pa (1.49E-005 mm Hg) Log Koa (Koawin est ): 8.336 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00151 Octanol/air (Koa) model: 5.32E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0517 Mackay model : 0.108 Octanol/air (Koa) model: 0.00424 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.7046 E-12 cm3/molecule-sec Half-Life = 0.517 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.199 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0798 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.399E+004 Log Koc: 4.146 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 = 2.271 (BCF = 186.8) log Kow used: 3.86 (estimated) Volatilization from Water: Henry LC: 8.18E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1273 hours (53.03 days) Half-Life from Model Lake : 1.403E+004 hours (584.7 days) Removal In Wastewater Treatment: Total removal: 24.14 percent Total biodegradation: 0.27 percent Total sludge adsorption: 23.83 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.273 12.4 1000 Water 13.2 1.44e+003 1000 Soil 83.7 2.88e+003 1000 Sediment 2.8 1.3e+004 0 Persistence Time: 1.73e+003 hr
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