4-(3-Methoxypropoxy)-2,3-dimethylpyridine 1-oxide
[O-][n+]1ccc(OCCCOC)c(c1C)C
InChI=1S/C11H17NO3/c1-9-10(2)12(13)6-5-11(9)15-8-4-7-14-3/h5-6H,4,7-8H2,1-3H3
NZQKWDSCDLYKDF-UHFFFAOYSA-N
CSID:8188952, http://www.chemspider.com/Chemical-Structure.8188952.html (accessed 20:54, Mar 28, 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) = 1.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 317.18 (Adapted Stein & Brown method) Melting Pt (deg C): 101.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.36E-005 (Modified Grain method) Subcooled liquid VP: 0.000242 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): 1293 log Kow used: 1.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1721 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.418E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5404 Biowin2 (Non-Linear Model) : 0.4919 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5136 (weeks-months) Biowin4 (Primary Survey Model) : 3.4718 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5254 Biowin6 (MITI Non-Linear Model): 0.4442 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1792 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): 0.0323 Pa (0.000242 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.3E-005 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00335 Mackay model : 0.00738 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.2773 E-12 cm3/molecule-sec Half-Life = 0.353 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.239 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00537 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 335.2 Log Koc: 2.525 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 = 0.622 (BCF = 4.185) log Kow used: 1.72 (estimated) Volatilization from Water: Henry LC: 9.42E-009 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 9.057E+004 hours (3774 days) Half-Life from Model Lake : 9.882E+005 hours (4.117E+004 days) Removal In Wastewater Treatment: Total removal: 2.06 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.96 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 0.0842 8.48 1000 Water 29.8 900 1000 Soil 70 1.8e+003 1000 Sediment 0.0874 8.1e+003 0 Persistence Time: 1.14e+003 hr
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