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- Double-bond stereo
(E)-1-(4-Ethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]methanimine
CCOc1ccc(cc1)/C=N/c2ccc(cc2)OC(F)(F)F
InChI=1S/C16H14F3NO2/c1-2-21-14-7-3-12(4-8-14)11-20-13-5-9-15(10-6-13)22-16(17,18)19/h3-11H,2H2,1H3/b20-11+
ABZQNVGCTRZFRH-RGVLZGJSSA-N
CSID:545553, http://www.chemspider.com/Chemical-Structure.545553.html (accessed 04:22, May 29, 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) = 4.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 349.77 (Adapted Stein & Brown method) Melting Pt (deg C): 105.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.17E-005 (Modified Grain method) Subcooled liquid VP: 0.000134 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): 0.8288 log Kow used: 4.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.44796 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.60E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.066E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.82 (KowWin est) Log Kaw used: -3.832 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.652 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3437 Biowin2 (Non-Linear Model) : 0.0720 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8865 (months ) Biowin4 (Primary Survey Model) : 3.2813 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3404 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4082 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): 0.0179 Pa (0.000134 mm Hg) Log Koa (Koawin est ): 8.652 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000168 Octanol/air (Koa) model: 0.00011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00603 Mackay model : 0.0133 Octanol/air (Koa) model: 0.00874 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.5803 E-12 cm3/molecule-sec Half-Life = 0.186 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.229 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00964 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.921E+004 Log Koc: 4.899 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 = 3.011 (BCF = 1027) log Kow used: 4.82 (estimated) Volatilization from Water: Henry LC: 3.6E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 287.8 hours (11.99 days) Half-Life from Model Lake : 3287 hours (137 days) Removal In Wastewater Treatment: Total removal: 71.22 percent Total biodegradation: 0.63 percent Total sludge adsorption: 70.54 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.102 4.46 1000 Water 10 1.44e+003 1000 Soil 69.3 2.88e+003 1000 Sediment 20.6 1.3e+004 0 Persistence Time: 2e+003 hr
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