Try beta.chemspider
10-Chloro-4,6-dioxo-1,4,6,9-tetrahydropyrido[3,2-g]quinoline-2,8-dicarboxylic acid
c1c2c(=O)cc([nH]c2c(c3c1c(=O)cc([nH]3)C(=O)O)Cl)C(=O)O
InChI=1S/C14H7ClN2O6/c15-10-11-4(8(18)2-6(16-11)13(20)21)1-5-9(19)3-7(14(22)23)17-12(5)10/h1-3H,(H,16,18)(H,17,19)(H,20,21)(H,22,23)
KCHNFJBUYMAXKH-UHFFFAOYSA-N
CSID:65612, http://www.chemspider.com/Chemical-Structure.65612.html (accessed 18:30, Apr 25, 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) = -3.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 605.47 (Adapted Stein & Brown method) Melting Pt (deg C): 322.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.35E-014 (Modified Grain method) Subcooled liquid VP: 5.31E-011 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): 3.961e+004 log Kow used: -3.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3023e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines-acid Vinyl/Allyl Ketones-acid Vinyl/Allyl Halides-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.65E-024 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.613E-019 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -3.26 (KowWin est) Log Kaw used: -22.171 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.911 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9435 Biowin2 (Non-Linear Model) : 0.2696 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0195 (weeks ) Biowin4 (Primary Survey Model) : 4.0775 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4005 Biowin6 (MITI Non-Linear Model): 0.0131 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5452 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): 7.08E-009 Pa (5.31E-011 mm Hg) Log Koa (Koawin est ): 18.911 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 424 Octanol/air (Koa) model: 2E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 105.4802 E-12 cm3/molecule-sec Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.217 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.640830 E-17 cm3/molecule-sec Half-Life = 1.788 Days (at 7E11 mol/cm3) Half-Life = 42.919 Hrs Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 15.26 Log Koc: 1.183 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: -3.26 (estimated) Volatilization from Water: Henry LC: 1.65E-024 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.491E+020 hours (2.705E+019 days) Half-Life from Model Lake : 7.082E+021 hours (2.951E+020 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 1.71e-012 2.3 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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