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3-Chloro-2-methylpyridine
Cc1c(cccn1)Cl
InChI=1S/C6H6ClN/c1-5-6(7)3-2-4-8-5/h2-4H,1H3
YSEYOMUPVMGJPP-UHFFFAOYSA-N
CSID:2043495, http://www.chemspider.com/Chemical-Structure.2043495.html (accessed 10:05, May 13, 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) = 2.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 171.67 (Adapted Stein & Brown method) Melting Pt (deg C): 5.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.44 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1854 log Kow used: 2.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 24207 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.77E-006 atm-m3/mole Group Method: 7.05E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.304E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.00 (KowWin est) Log Kaw used: -3.627 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.627 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4045 Biowin2 (Non-Linear Model) : 0.1325 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4216 (weeks-months) Biowin4 (Primary Survey Model) : 3.4111 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3714 Biowin6 (MITI Non-Linear Model): 0.2371 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4168 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): 175 Pa (1.31 mm Hg) Log Koa (Koawin est ): 5.627 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.72E-008 Octanol/air (Koa) model: 1.04E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.2E-007 Mackay model : 1.37E-006 Octanol/air (Koa) model: 8.32E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4551 E-12 cm3/molecule-sec Half-Life = 23.504 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.97E-007 (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 = 0.837 (BCF = 6.873) log Kow used: 2.00 (estimated) Volatilization from Water: Henry LC: 7.05E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 94.95 hours (3.956 days) Half-Life from Model Lake : 1131 hours (47.11 days) Removal In Wastewater Treatment: Total removal: 2.63 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.14 percent Total to Air: 0.39 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.87 564 1000 Water 30.2 900 1000 Soil 65.8 1.8e+003 1000 Sediment 0.117 8.1e+003 0 Persistence Time: 818 hr
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