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1-Ethoxy-2-methylpyridinium
O([n+]1ccccc1C)CC
InChI=1S/C8H12NO/c1-3-10-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3/q+1
BWNPRGWTDRFKGB-UHFFFAOYSA-N
CSID:9034280, http://www.chemspider.com/Chemical-Structure.9034280.html (accessed 16:35, May 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) = 1.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 199.12 (Adapted Stein & Brown method) Melting Pt (deg C): 6.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.377 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1939 log Kow used: 1.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28199 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]: 3.535E-005 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) : 0.7364 Biowin2 (Non-Linear Model) : 0.8353 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8189 (weeks ) Biowin4 (Primary Survey Model) : 3.5798 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4252 Biowin6 (MITI Non-Linear Model): 0.4435 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0290 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): 46 Pa (0.345 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.52E-008 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.36E-006 Mackay model : 5.22E-006 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.2753 E-12 cm3/molecule-sec Half-Life = 1.470 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.642 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.79E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 315 Log Koc: 2.498 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 = 0.781 (BCF = 6.044) log Kow used: 1.92 (estimated) Volatilization from Water: Henry LC: 3.54E-005 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 20.67 hours Half-Life from Model Lake : 324 hours (13.5 days) Removal In Wastewater Treatment: Total removal: 4.03 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.05 percent Total to Air: 1.88 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.6 35.3 1000 Water 31.9 360 1000 Soil 64.4 720 1000 Sediment 0.103 3.24e+003 0 Persistence Time: 382 hr
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