N,N-Dibenzyl-2,2,2-trifluoroacetamide
FC(F)(F)C(=O)N(Cc1ccccc1)Cc2ccccc2 CopyCopied
InChI=1S/C16H14F3NO/c17-16(18,19)15(21)20(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2 CopyCopied
OYQVAMGVECRUMU-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
acetamide, 2,2,2-trifluoro-N,N-bis(phenylmethyl)-
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.98 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 364.60 (Adapted Stein & Brown method) Melting Pt (deg C): 122.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.4E-006 (Modified Grain method) Subcooled liquid VP: 5.93E-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): 5.331 log Kow used: 3.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5119 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.77E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.633E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.98 (KowWin est) Log Kaw used: -6.946 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.926 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5538 Biowin2 (Non-Linear Model) : 0.3691 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0279 (months ) Biowin4 (Primary Survey Model) : 3.3654 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0108 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2644 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): 0.00791 Pa (5.93E-005 mm Hg) Log Koa (Koawin est ): 10.926 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000379 Octanol/air (Koa) model: 0.0207 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0135 Mackay model : 0.0295 Octanol/air (Koa) model: 0.624 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.3489 E-12 cm3/molecule-sec Half-Life = 0.617 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.398 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0215 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.287E+004 Log Koc: 4.863 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 = 2.367 (BCF = 232.7) log Kow used: 3.98 (estimated) Volatilization from Water: Henry LC: 2.77E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.62E+005 hours (1.508E+004 days) Half-Life from Model Lake : 3.949E+006 hours (1.645E+005 days) Removal In Wastewater Treatment: Total removal: 29.16 percent Total biodegradation: 0.31 percent Total sludge adsorption: 28.84 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 0.0126 14.8 1000 Water 8.69 1.44e+003 1000 Soil 88.8 2.88e+003 1000 Sediment 2.48 1.3e+004 0 Persistence Time: 2.85e+003 hr
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