3-Methyl-3H-imidazo[4,5-f]quinolin-9-ol
Cn1cnc2c1ccc3c2c(ccn3)O
InChI=1S/C11H9N3O/c1-14-6-13-11-8(14)3-2-7-10(11)9(15)4-5-12-7/h2-6H,1H3,(H,12,15)
OCGANEUJWFHNLO-UHFFFAOYSA-N
CSID:128916, http://www.chemspider.com/Chemical-Structure.128916.html (accessed 03:23, Jun 7, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 411.63 (Adapted Stein & Brown method) Melting Pt (deg C): 170.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.35E-007 (Modified Grain method) Subcooled liquid VP: 4.33E-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): 5256 log Kow used: 1.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5687.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ketones Imidazoles Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.04E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.732E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.08 (KowWin est) Log Kaw used: -9.782 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.862 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4258 Biowin2 (Non-Linear Model) : 0.1015 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6015 (weeks-months) Biowin4 (Primary Survey Model) : 3.4297 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1170 Biowin6 (MITI Non-Linear Model): 0.0399 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3465 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): 0.000577 Pa (4.33E-006 mm Hg) Log Koa (Koawin est ): 10.862 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0052 Octanol/air (Koa) model: 0.0179 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.158 Mackay model : 0.294 Octanol/air (Koa) model: 0.588 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 140.5028 E-12 cm3/molecule-sec Half-Life = 0.076 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.914 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.226 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 142.1 Log Koc: 2.153 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 = -0.707 (BCF = 0.1965) log Kow used: 1.08 (estimated) Volatilization from Water: Henry LC: 4.04E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.045E+008 hours (8.523E+006 days) Half-Life from Model Lake : 2.231E+009 hours (9.297E+007 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 6.39e-005 1.81 1000 Water 39.7 900 1000 Soil 60.2 1.8e+003 1000 Sediment 0.0853 8.1e+003 0 Persistence Time: 1.07e+003 hr
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