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- Double-bond stereo
4-{(E)-[(3-Methoxyphenyl)imino]methyl}-N,N-dimethylaniline
CN(C)c1ccc(cc1)/C=N/c2cccc(c2)OC
InChI=1S/C16H18N2O/c1-18(2)15-9-7-13(8-10-15)12-17-14-5-4-6-16(11-14)19-3/h4-12H,1-3H3/b17-12+
RUMOKUKKDWIUJO-SFQUDFHCSA-N
CSID:604421, http://www.chemspider.com/Chemical-Structure.604421.html (accessed 08:06, Apr 23, 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) = 3.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 357.18 (Adapted Stein & Brown method) Melting Pt (deg C): 110.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.27E-005 (Modified Grain method) Subcooled liquid VP: 8.91E-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): 24.84 log Kow used: 3.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18.511 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.26E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.711E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.46 (KowWin est) Log Kaw used: -5.422 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.882 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5531 Biowin2 (Non-Linear Model) : 0.3595 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3242 (weeks-months) Biowin4 (Primary Survey Model) : 3.2699 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1231 Biowin6 (MITI Non-Linear Model): 0.0451 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0298 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): 0.0119 Pa (8.91E-005 mm Hg) Log Koa (Koawin est ): 8.882 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000253 Octanol/air (Koa) model: 0.000187 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00904 Mackay model : 0.0198 Octanol/air (Koa) model: 0.0147 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 205.2992 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.625 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0144 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6906 Log Koc: 3.839 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 = 1.964 (BCF = 92.07) log Kow used: 3.46 (estimated) Volatilization from Water: Henry LC: 9.26E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.008E+004 hours (420.2 days) Half-Life from Model Lake : 1.102E+005 hours (4590 days) Removal In Wastewater Treatment: Total removal: 12.16 percent Total biodegradation: 0.18 percent Total sludge adsorption: 11.98 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 0.052 1.25 1000 Water 17.8 900 1000 Soil 81 1.8e+003 1000 Sediment 1.17 8.1e+003 0 Persistence Time: 1.09e+003 hr
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