Try beta.chemspider
2-Phenyl-N-[2-(trifluoromethyl)-1H-benzimidazol-4-yl]acetamide
c1ccc(cc1)CC(=O)Nc2cccc3c2nc([nH]3)C(F)(F)F
InChI=1S/C16H12F3N3O/c17-16(18,19)15-21-12-8-4-7-11(14(12)22-15)20-13(23)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,20,23)(H,21,22)
VVEYSUWOTUWAPC-UHFFFAOYSA-N
CSID:4457502, http://www.chemspider.com/Chemical-Structure.4457502.html (accessed 11:43, Jun 10, 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) = 3.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 540.66 (Adapted Stein & Brown method) Melting Pt (deg C): 231.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.52E-011 (Modified Grain method) Subcooled liquid VP: 2.53E-009 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): 5.251 log Kow used: 3.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4509 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.95E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.216E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.81 (KowWin est) Log Kaw used: -10.919 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.729 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4680 Biowin2 (Non-Linear Model) : 0.1065 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8736 (months ) Biowin4 (Primary Survey Model) : 3.2545 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0489 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3988 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): 3.37E-007 Pa (2.53E-009 mm Hg) Log Koa (Koawin est ): 14.729 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.89 Octanol/air (Koa) model: 132 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.997 Mackay model : 0.999 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.0050 E-12 cm3/molecule-sec Half-Life = 0.629 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.548 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.568E+004 Log Koc: 4.660 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 = 2.235 (BCF = 171.9) log Kow used: 3.81 (estimated) Volatilization from Water: Henry LC: 2.95E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.546E+009 hours (1.478E+008 days) Half-Life from Model Lake : 3.869E+010 hours (1.612E+009 days) Removal In Wastewater Treatment: Total removal: 22.20 percent Total biodegradation: 0.26 percent Total sludge adsorption: 21.94 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 0.000745 15.1 1000 Water 8.74 1.44e+003 1000 Soil 89.6 2.88e+003 1000 Sediment 1.64 1.3e+004 0 Persistence Time: 2.88e+003 hr
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