- Double-bond stereo
(E)-1-(2-Chloro-1-naphthyl)-N-(2,6-dimethyl-3-pyridinyl)methanimine
Cc1ccc(c(n1)C)/N=C/c2c3ccccc3ccc2Cl
InChI=1S/C18H15ClN2/c1-12-7-10-18(13(2)21-12)20-11-16-15-6-4-3-5-14(15)8-9-17(16)19/h3-11H,1-2H3/b20-11+
XHTULXCNQNUBBC-RGVLZGJSSA-N
CSID:2300507, http://www.chemspider.com/Chemical-Structure.2300507.html (accessed 16:08, Jun 4, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 417.27 (Adapted Stein & Brown method) Melting Pt (deg C): 154.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.49E-007 (Modified Grain method) Subcooled liquid VP: 3.15E-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): 0.8146 log Kow used: 4.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.2186 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.095E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.93 (KowWin est) Log Kaw used: -6.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.265 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3796 Biowin2 (Non-Linear Model) : 0.0247 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9773 (months ) Biowin4 (Primary Survey Model) : 3.1013 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0533 Biowin6 (MITI Non-Linear Model): 0.0080 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3990 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): 0.00042 Pa (3.15E-006 mm Hg) Log Koa (Koawin est ): 11.265 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00714 Octanol/air (Koa) model: 0.0452 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.205 Mackay model : 0.364 Octanol/air (Koa) model: 0.783 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.5185 E-12 cm3/molecule-sec Half-Life = 0.497 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.965 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.284 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.085E+005 Log Koc: 5.319 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 = 3.095 (BCF = 1243) log Kow used: 4.93 (estimated) Volatilization from Water: Henry LC: 1.13E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.896E+004 hours (3707 days) Half-Life from Model Lake : 9.706E+005 hours (4.044E+004 days) Removal In Wastewater Treatment: Total removal: 75.36 percent Total biodegradation: 0.66 percent Total sludge adsorption: 74.70 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 0.0449 11.9 1000 Water 7.01 1.44e+003 1000 Soil 74.6 2.88e+003 1000 Sediment 18.3 1.3e+004 0 Persistence Time: 3.05e+003 hr
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