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Methyl 8-chloro-4-hydroxy-2-quinolinecarboxylate
COC(=O)c1cc(c2cccc(c2n1)Cl)O
InChI=1S/C11H8ClNO3/c1-16-11(15)8-5-9(14)6-3-2-4-7(12)10(6)13-8/h2-5H,1H3,(H,13,14)
XFZKOZSDFPFCAF-UHFFFAOYSA-N
CSID:17613308, http://www.chemspider.com/Chemical-Structure.17613308.html (accessed 01:57, Jul 4, 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) = 1.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 353.64 (Adapted Stein & Brown method) Melting Pt (deg C): 128.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.01E-005 (Modified Grain method) Subcooled liquid VP: 0.000108 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): 2.177e+004 log Kow used: 1.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 41895 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Aliphatic Amines Vinyl/Allyl Ketones Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.75E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.451E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.30 (KowWin est) Log Kaw used: -8.499 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.799 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8579 Biowin2 (Non-Linear Model) : 0.9254 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6430 (weeks-months) Biowin4 (Primary Survey Model) : 3.6543 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5262 Biowin6 (MITI Non-Linear Model): 0.1364 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4050 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): 0.0144 Pa (0.000108 mm Hg) Log Koa (Koawin est ): 9.799 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000208 Octanol/air (Koa) model: 0.00155 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00747 Mackay model : 0.0164 Octanol/air (Koa) model: 0.11 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.4345 E-12 cm3/molecule-sec Half-Life = 0.190 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.274 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.465830 E-17 cm3/molecule-sec Half-Life = 2.460 Days (at 7E11 mol/cm3) Half-Life = 59.043 Hrs Fraction sorbed to airborne particulates (phi): 0.0119 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 45.55 Log Koc: 1.659 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.069E-003 L/mol-sec Kb Half-Life at pH 8: 10.614 years Kb Half-Life at pH 7: 106.143 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.303 (BCF = 2.007) log Kow used: 1.30 (estimated) Volatilization from Water: Henry LC: 7.75E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.165E+007 hours (4.852E+005 days) Half-Life from Model Lake : 1.27E+008 hours (5.294E+006 days) Removal In Wastewater Treatment: Total removal: 1.93 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.83 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 0.000946 4.22 1000 Water 36.5 900 1000 Soil 63.4 1.8e+003 1000 Sediment 0.0841 8.1e+003 0 Persistence Time: 1.12e+003 hr
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