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- Double-bond stereo
(E)-1-(2-Methoxy-1-naphthyl)-N-(4-methylphenyl)methanimine
Cc1ccc(cc1)/N=C/c2c3ccccc3ccc2OC
InChI=1S/C19H17NO/c1-14-7-10-16(11-8-14)20-13-18-17-6-4-3-5-15(17)9-12-19(18)21-2/h3-13H,1-2H3/b20-13+
DZHMABUMDXCDJJ-DEDYPNTBSA-N
CSID:604209, http://www.chemspider.com/Chemical-Structure.604209.html (accessed 22:57, Jun 2, 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) = 5.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 405.20 (Adapted Stein & Brown method) Melting Pt (deg C): 139.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.31E-007 (Modified Grain method) Subcooled liquid VP: 6.21E-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): 0.9048 log Kow used: 5.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.24691 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.27E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.726E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.01 (KowWin est) Log Kaw used: -4.591 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.601 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8030 Biowin2 (Non-Linear Model) : 0.8726 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4577 (weeks-months) Biowin4 (Primary Survey Model) : 3.4591 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2025 Biowin6 (MITI Non-Linear Model): 0.0903 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3585 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): 0.000828 Pa (6.21E-006 mm Hg) Log Koa (Koawin est ): 9.601 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00362 Octanol/air (Koa) model: 0.000979 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.116 Mackay model : 0.225 Octanol/air (Koa) model: 0.0727 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 121.2155 E-12 cm3/molecule-sec Half-Life = 0.088 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.059 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.17 (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 = 3.154 (BCF = 1427) log Kow used: 5.01 (estimated) Volatilization from Water: Henry LC: 6.27E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1551 hours (64.63 days) Half-Life from Model Lake : 1.706E+004 hours (710.9 days) Removal In Wastewater Treatment: Total removal: 78.02 percent Total biodegradation: 0.68 percent Total sludge adsorption: 77.33 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0674 2.12 1000 Water 11.5 900 1000 Soil 61.5 1.8e+003 1000 Sediment 27 8.1e+003 0 Persistence Time: 1.44e+003 hr
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