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3-Hydroxy-2-methyl-4-quinolinecarboxylate
[O-]C(=O)c1c2ccccc2nc(c1O)C
InChI=1S/C11H9NO3/c1-6-10(13)9(11(14)15)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3,(H,14,15)/p-1
RVGATDHHYVSTQG-UHFFFAOYSA-M
CSID:5301452, http://www.chemspider.com/Chemical-Structure.5301452.html (accessed 03:33, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 391.70 (Adapted Stein & Brown method) Melting Pt (deg C): 162.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.14E-007 (Modified Grain method) Subcooled liquid VP: 2.9E-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): 129.6 log Kow used: 2.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.53707 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols-acid Salicylic Acid-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.00E-012 atm-m3/mole Group Method: 2.23E-015 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.352E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.94 (KowWin est) Log Kaw used: -10.087 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.027 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9981 Biowin2 (Non-Linear Model) : 0.9826 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8195 (weeks ) Biowin4 (Primary Survey Model) : 3.5335 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6232 Biowin6 (MITI Non-Linear Model): 0.5940 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4289 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000387 Pa (2.9E-006 mm Hg) Log Koa (Koawin est ): 13.027 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00776 Octanol/air (Koa) model: 2.61 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.219 Mackay model : 0.383 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.4199 E-12 cm3/molecule-sec Half-Life = 0.457 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.480 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.301 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 449 Log Koc: 2.652 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 = 0.500 (BCF = 3.162) log Kow used: 2.94 (estimated) Volatilization from Water: Henry LC: 2E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.173E+008 hours (1.739E+007 days) Half-Life from Model Lake : 4.552E+009 hours (1.897E+008 days) Removal In Wastewater Treatment: Total removal: 5.21 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.09 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 4.76e-005 11 1000 Water 17 360 1000 Soil 82.7 720 1000 Sediment 0.254 3.24e+003 0 Persistence Time: 773 hr
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