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- Double-bond stereo
(4E)-7-Chloro-1-(1-naphthylmethyl)-N-pentyl-4(1H)-quinolinimine
Clc1ccc\2c(c1)N(/C=C\C/2=N/CCCCC)Cc4c3ccccc3ccc4
InChI=1S/C25H25ClN2/c1-2-3-6-15-27-24-14-16-28(25-17-21(26)12-13-23(24)25)18-20-10-7-9-19-8-4-5-11-22(19)20/h4-5,7-14,16-17H,2-3,6,15,18H2,1H3/b27-24+
QFBSNEKXILWKIM-SOYKGTTHSA-N
CSID:8221398, http://www.chemspider.com/Chemical-Structure.8221398.html (accessed 00:07, Jul 5, 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) = 7.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 495.22 (Adapted Stein & Brown method) Melting Pt (deg C): 210.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.9E-010 (Modified Grain method) Subcooled liquid VP: 3.63E-008 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): 0.0008424 log Kow used: 7.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00018664 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Schiff Bases Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.46E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.369E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.76 (KowWin est) Log Kaw used: -5.461 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.221 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3542 Biowin2 (Non-Linear Model) : 0.0086 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2100 (months ) Biowin4 (Primary Survey Model) : 3.1670 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2979 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5897 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): 4.84E-006 Pa (3.63E-008 mm Hg) Log Koa (Koawin est ): 13.221 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.62 Octanol/air (Koa) model: 4.08 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.957 Mackay model : 0.98 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 244.0027 E-12 cm3/molecule-sec Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.526 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.465830 E-17 cm3/molecule-sec Half-Life = 2.460 Days (at 7E11 mol/cm3) Half-Life = 59.043 Hrs Fraction sorbed to airborne particulates (phi): 0.969 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.235E+007 Log Koc: 7.349 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 = 3.766 (BCF = 5833) log Kow used: 7.76 (estimated) Volatilization from Water: Henry LC: 8.46E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.365E+004 hours (568.8 days) Half-Life from Model Lake : 1.491E+005 hours (6212 days) Removal In Wastewater Treatment: Total removal: 94.00 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.22 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 0.00994 1.03 1000 Water 1.41 1.44e+003 1000 Soil 30.5 2.88e+003 1000 Sediment 68.1 1.3e+004 0 Persistence Time: 4.72e+003 hr
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