2-Methyl-3-pyridinol
Cc1c(cccn1)O
InChI=1S/C6H7NO/c1-5-6(8)3-2-4-7-5/h2-4,8H,1H3
AQSRRZGQRFFFGS-UHFFFAOYSA-N
CSID:63884, http://www.chemspider.com/Chemical-Structure.63884.html (accessed 16:06, Apr 18, 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) = 0.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 200.23 (Adapted Stein & Brown method) Melting Pt (deg C): 25.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.166 (Modified Grain method) Subcooled liquid VP: 0.169 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): 1.973e+004 log Kow used: 0.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8549.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.10E-010 atm-m3/mole Group Method: 1.02E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.208E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.87 (KowWin est) Log Kaw used: -7.480 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.350 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7115 Biowin2 (Non-Linear Model) : 0.7870 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7254 (weeks-months) Biowin4 (Primary Survey Model) : 3.6427 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4843 Biowin6 (MITI Non-Linear Model): 0.5178 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8998 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): 22.5 Pa (0.169 mm Hg) Log Koa (Koawin est ): 8.350 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.33E-007 Octanol/air (Koa) model: 5.5E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.81E-006 Mackay model : 1.07E-005 Octanol/air (Koa) model: 0.00438 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.0285 E-12 cm3/molecule-sec Half-Life = 1.332 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.987 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 7.73E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 88.38 Log Koc: 1.946 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 = 0.500 (BCF = 3.162) log Kow used: 0.87 (estimated) Volatilization from Water: Henry LC: 1.02E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5.996E+005 hours (2.498E+004 days) Half-Life from Model Lake : 6.542E+006 hours (2.726E+005 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 0.0134 32 1000 Water 42 900 1000 Soil 57.9 1.8e+003 1000 Sediment 0.0866 8.1e+003 0 Persistence Time: 1.03e+003 hr
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