Try beta.chemspider
7-chloroquinolin-2-ol
c1cc(cc2c1ccc(n2)O)Cl
InChI=1S/C9H6ClNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,(H,11,12)
SDRJFDTZVULXDE-UHFFFAOYSA-N
CSID:305115, http://www.chemspider.com/Chemical-Structure.305115.html (accessed 21:34, Apr 24, 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) = 1.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 346.40 (Adapted Stein & Brown method) Melting Pt (deg C): 121.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.75E-005 (Modified Grain method) Subcooled liquid VP: 0.000161 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): 3335 log Kow used: 1.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7818.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.52E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.240E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.43 (KowWin est) Log Kaw used: -6.574 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.004 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7608 Biowin2 (Non-Linear Model) : 0.7853 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5749 (weeks-months) Biowin4 (Primary Survey Model) : 3.6934 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3365 Biowin6 (MITI Non-Linear Model): 0.0936 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1141 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): 0.0215 Pa (0.000161 mm Hg) Log Koa (Koawin est ): 8.004 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00014 Octanol/air (Koa) model: 2.48E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00502 Mackay model : 0.0111 Octanol/air (Koa) model: 0.00198 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 67.8590 E-12 cm3/molecule-sec Half-Life = 0.158 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.891 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.925830 E-17 cm3/molecule-sec Half-Life = 1.238 Days (at 7E11 mol/cm3) Half-Life = 29.707 Hrs Fraction sorbed to airborne particulates (phi): 0.00804 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 339.3 Log Koc: 2.531 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 = 0.400 (BCF = 2.51) log Kow used: 1.43 (estimated) Volatilization from Water: Henry LC: 6.52E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.203E+005 hours (5014 days) Half-Life from Model Lake : 1.313E+006 hours (5.471E+004 days) Removal In Wastewater Treatment: Total removal: 1.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.86 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 0.0579 3.36 1000 Water 36.2 900 1000 Soil 63.7 1.8e+003 1000 Sediment 0.0882 8.1e+003 0 Persistence Time: 989 hr
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