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- Double-bond stereo
(E)-N-(4-Butylphenyl)-1-(4-methoxyphenyl)methanimine
CCCCc1ccc(cc1)/N=C/c2ccc(cc2)OC
InChI=1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3/b19-14+
FEIWNULTQYHCDN-XMHGGMMESA-N
CSID:30817, http://www.chemspider.com/Chemical-Structure.30817.html (accessed 13:31, Jun 14, 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) = 5.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 369.11 (Adapted Stein & Brown method) Melting Pt (deg C): 109.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.85E-006 (Modified Grain method) Subcooled liquid VP: 4.62E-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): 0.5597 log Kow used: 5.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.3314 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.50E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.306E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.30 (KowWin est) Log Kaw used: -3.212 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.512 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9153 Biowin2 (Non-Linear Model) : 0.9798 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7737 (weeks ) Biowin4 (Primary Survey Model) : 3.7396 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2119 Biowin6 (MITI Non-Linear Model): 0.1331 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2629 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): 0.00616 Pa (4.62E-005 mm Hg) Log Koa (Koawin est ): 8.512 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000487 Octanol/air (Koa) model: 7.98E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0173 Mackay model : 0.0375 Octanol/air (Koa) model: 0.00634 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.8399 E-12 cm3/molecule-sec Half-Life = 0.283 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.392 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0274 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.578E+005 Log Koc: 5.198 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 = 3.383 (BCF = 2417) log Kow used: 5.30 (estimated) Volatilization from Water: Henry LC: 1.5E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 65.49 hours (2.729 days) Half-Life from Model Lake : 851.6 hours (35.48 days) Removal In Wastewater Treatment: Total removal: 85.20 percent Total biodegradation: 0.73 percent Total sludge adsorption: 84.39 percent Total to Air: 0.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.471 6.78 1000 Water 14.6 360 1000 Soil 53.8 720 1000 Sediment 31.2 3.24e+003 0 Persistence Time: 648 hr
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