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2-[(1-Naphthyloxy)methyl]quinoline
c1ccc2c(c1)cccc2OCc3ccc4ccccc4n3
InChI=1S/C20H15NO/c1-3-9-18-15(6-1)8-5-11-20(18)22-14-17-13-12-16-7-2-4-10-19(16)21-17/h1-13H,14H2
NZLDBNPKNBCGEN-UHFFFAOYSA-N
CSID:153449, http://www.chemspider.com/Chemical-Structure.153449.html (accessed 02:21, Apr 27, 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) = 5.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 441.54 (Adapted Stein & Brown method) Melting Pt (deg C): 171.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.46E-008 (Modified Grain method) Subcooled liquid VP: 7.96E-007 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): 0.0504 log Kow used: 5.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.48431 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.21E-010 atm-m3/mole Group Method: 1.44E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.833E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.11 (KowWin est) Log Kaw used: -7.882 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.992 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7436 Biowin2 (Non-Linear Model) : 0.7694 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5105 (weeks-months) Biowin4 (Primary Survey Model) : 3.5132 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1096 Biowin6 (MITI Non-Linear Model): 0.0496 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2338 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): 0.000106 Pa (7.96E-007 mm Hg) Log Koa (Koawin est ): 12.992 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0283 Octanol/air (Koa) model: 2.41 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.505 Mackay model : 0.693 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 205.6974 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.624 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.599 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.963E+005 Log Koc: 5.775 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 = 3.233 (BCF = 1709) log Kow used: 5.11 (estimated) Volatilization from Water: Henry LC: 1.44E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.868E+005 hours (2.862E+004 days) Half-Life from Model Lake : 7.493E+006 hours (3.122E+005 days) Removal In Wastewater Treatment: Total removal: 80.90 percent Total biodegradation: 0.70 percent Total sludge adsorption: 80.20 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 0.0128 1.25 1000 Water 8.62 900 1000 Soil 66.4 1.8e+003 1000 Sediment 25 8.1e+003 0 Persistence Time: 1.97e+003 hr
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