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- Double-bond stereo
(E)-N-(4-Bromophenyl)-1-(2-methoxy-1-naphthyl)methanimine
COc1ccc2ccccc2c1/C=N/c3ccc(cc3)Br
InChI=1S/C18H14BrNO/c1-21-18-11-6-13-4-2-3-5-16(13)17(18)12-20-15-9-7-14(19)8-10-15/h2-12H,1H3/b20-12+
PPLUGHIPFDAJAY-UDWIEESQSA-N
CSID:519885, http://www.chemspider.com/Chemical-Structure.519885.html (accessed 01:35, Jul 7, 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) = 5.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 424.30 (Adapted Stein & Brown method) Melting Pt (deg C): 156.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.68E-008 (Modified Grain method) Subcooled liquid VP: 2.12E-006 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): 0.1921 log Kow used: 5.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.1736 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.26E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.256E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.35 (KowWin est) Log Kaw used: -5.034 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.384 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6071 Biowin2 (Non-Linear Model) : 0.2223 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2532 (weeks-months) Biowin4 (Primary Survey Model) : 3.2805 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1348 Biowin6 (MITI Non-Linear Model): 0.0480 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0133 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): 0.000283 Pa (2.12E-006 mm Hg) Log Koa (Koawin est ): 10.384 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0106 Octanol/air (Koa) model: 0.00594 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.277 Mackay model : 0.459 Octanol/air (Koa) model: 0.322 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 116.8420 E-12 cm3/molecule-sec Half-Life = 0.092 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.099 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.368 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.779E+005 Log Koc: 5.444 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 = 3.418 (BCF = 2619) log Kow used: 5.35 (estimated) Volatilization from Water: Henry LC: 2.26E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4780 hours (199.2 days) Half-Life from Model Lake : 5.23E+004 hours (2179 days) Removal In Wastewater Treatment: Total removal: 86.07 percent Total biodegradation: 0.73 percent Total sludge adsorption: 85.34 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 0.0553 2.2 1000 Water 8.4 900 1000 Soil 51.5 1.8e+003 1000 Sediment 40 8.1e+003 0 Persistence Time: 1.76e+003 hr
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