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3-(Benzyloxy)pyridine
C1=CC=C(C=C1)COC2=CN=CC=C2
InChI=1S/C12H11NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-9H,10H2
LLWFWIZOFFLRKC-UHFFFAOYSA-N
CSID:8188209, http://www.chemspider.com/Chemical-Structure.8188209.html (accessed 03:13, Jul 2, 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) = 2.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 292.84 (Adapted Stein & Brown method) Melting Pt (deg C): 71.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00105 (Modified Grain method) Subcooled liquid VP: 0.00285 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): 316.7 log Kow used: 2.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1001.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.37E-008 atm-m3/mole Group Method: 6.29E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.081E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.59 (KowWin est) Log Kaw used: -5.861 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.451 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7648 Biowin2 (Non-Linear Model) : 0.9420 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5396 (weeks-months) Biowin4 (Primary Survey Model) : 3.6438 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3411 Biowin6 (MITI Non-Linear Model): 0.2685 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0071 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): 0.38 Pa (0.00285 mm Hg) Log Koa (Koawin est ): 8.451 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.89E-006 Octanol/air (Koa) model: 6.93E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000285 Mackay model : 0.000631 Octanol/air (Koa) model: 0.00552 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.6230 E-12 cm3/molecule-sec Half-Life = 0.731 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.777 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000458 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4737 Log Koc: 3.676 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 = 1.297 (BCF = 19.8) log Kow used: 2.59 (estimated) Volatilization from Water: Henry LC: 6.29E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.267E+004 hours (527.9 days) Half-Life from Model Lake : 1.383E+005 hours (5764 days) Removal In Wastewater Treatment: Total removal: 3.38 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.27 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 0.293 17.6 1000 Water 18.2 900 1000 Soil 81.3 1.8e+003 1000 Sediment 0.176 8.1e+003 0 Persistence Time: 1.28e+003 hr
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