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6-Methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
Cc1ccc(cc1)c2cn3cc(ccc3n2)C
InChI=1S/C15H14N2/c1-11-3-6-13(7-4-11)14-10-17-9-12(2)5-8-15(17)16-14/h3-10H,1-2H3
AWEWSJJCANQFRB-UHFFFAOYSA-N
CSID:581080, http://www.chemspider.com/Chemical-Structure.581080.html (accessed 14:20, Jun 29, 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) = 4.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 408.65 (Adapted Stein & Brown method) Melting Pt (deg C): 150.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.72E-007 (Modified Grain method) Subcooled liquid VP: 5.12E-006 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): 3.8 log Kow used: 4.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.24 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.11E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.094E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.62 (KowWin est) Log Kaw used: -7.064 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.684 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7511 Biowin2 (Non-Linear Model) : 0.7323 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5582 (weeks-months) Biowin4 (Primary Survey Model) : 3.3900 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1995 Biowin6 (MITI Non-Linear Model): 0.0898 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6709 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): 0.000683 Pa (5.12E-006 mm Hg) Log Koa (Koawin est ): 11.684 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00439 Octanol/air (Koa) model: 0.119 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.137 Mackay model : 0.26 Octanol/air (Koa) model: 0.905 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 76.1695 E-12 cm3/molecule-sec Half-Life = 0.140 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.685 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.199 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.07E+004 Log Koc: 4.029 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 = 2.857 (BCF = 719.2) log Kow used: 4.62 (estimated) Volatilization from Water: Henry LC: 2.11E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.137E+005 hours (1.724E+004 days) Half-Life from Model Lake : 4.513E+006 hours (1.881E+005 days) Removal In Wastewater Treatment: Total removal: 62.16 percent Total biodegradation: 0.57 percent Total sludge adsorption: 61.60 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 0.0148 3.37 1000 Water 10.2 900 1000 Soil 79.7 1.8e+003 1000 Sediment 10.1 8.1e+003 0 Persistence Time: 1.89e+003 hr
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