7-Amino-5-chloro-8-quinolinol
c1cc2c(cc(c(c2nc1)O)N)Cl
InChI=1S/C9H7ClN2O/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H,11H2
MAHRZBYJYLDQAY-UHFFFAOYSA-N
CSID:369562, http://www.chemspider.com/Chemical-Structure.369562.html (accessed 03:01, 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) = 1.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 358.94 (Adapted Stein & Brown method) Melting Pt (deg C): 136.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.56E-006 (Modified Grain method) Subcooled liquid VP: 2.07E-005 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): 3029 log Kow used: 1.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 144.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.88E-014 atm-m3/mole Group Method: 6.58E-014 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.319E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.39 (KowWin est) Log Kaw used: -12.114 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.504 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3545 Biowin2 (Non-Linear Model) : 0.0590 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4839 (weeks-months) Biowin4 (Primary Survey Model) : 3.3329 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0787 Biowin6 (MITI Non-Linear Model): 0.0274 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1450 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): 0.00276 Pa (2.07E-005 mm Hg) Log Koa (Koawin est ): 13.504 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00109 Octanol/air (Koa) model: 7.83 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0378 Mackay model : 0.08 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 171.6455 E-12 cm3/molecule-sec Half-Life = 0.062 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.748 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.0589 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8304 Log Koc: 3.919 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 = 0.370 (BCF = 2.345) log Kow used: 1.39 (estimated) Volatilization from Water: Henry LC: 6.58E-014 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.241E+010 hours (5.172E+008 days) Half-Life from Model Lake : 1.354E+011 hours (5.642E+009 days) Removal In Wastewater Treatment: Total removal: 1.94 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 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 8.15e-007 1.5 1000 Water 34.9 900 1000 Soil 65 1.8e+003 1000 Sediment 0.0835 8.1e+003 0 Persistence Time: 1.15e+003 hr
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