Try beta.chemspider
3,3-Dichloro-1-phenyl-2,4(1H,3H)-quinolinedione
c1ccc(cc1)N2c3ccccc3C(=O)C(C2=O)(Cl)Cl
InChI=1S/C15H9Cl2NO2/c16-15(17)13(19)11-8-4-5-9-12(11)18(14(15)20)10-6-2-1-3-7-10/h1-9H
NBWVSBMFATXBKU-UHFFFAOYSA-N
CSID:2063919, http://www.chemspider.com/Chemical-Structure.2063919.html (accessed 17:49, May 7, 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) = 3.67 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 443.50 (Adapted Stein & Brown method) Melting Pt (deg C): 186.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.47E-008 (Modified Grain method) Subcooled liquid VP: 7.12E-007 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): 8.379 log Kow used: 3.67 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 198.58 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.38E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.067E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.67 (KowWin est) Log Kaw used: -10.012 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.682 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5402 Biowin2 (Non-Linear Model) : 0.0612 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9095 (months ) Biowin4 (Primary Survey Model) : 3.2395 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1895 Biowin6 (MITI Non-Linear Model): 0.0122 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1279 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): 9.49E-005 Pa (7.12E-007 mm Hg) Log Koa (Koawin est ): 13.682 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0316 Octanol/air (Koa) model: 11.8 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.533 Mackay model : 0.717 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.7353 E-12 cm3/molecule-sec Half-Life = 0.451 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.408 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.625 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 717.3 Log Koc: 2.856 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 = 1.282 (BCF = 19.15) log Kow used: 3.67 (estimated) Volatilization from Water: Henry LC: 2.38E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.304E+008 hours (1.793E+007 days) Half-Life from Model Lake : 4.696E+009 hours (1.957E+008 days) Removal In Wastewater Treatment: Total removal: 17.51 percent Total biodegradation: 0.22 percent Total sludge adsorption: 17.29 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 2.9e-005 10.8 1000 Water 8.92 1.44e+003 1000 Soil 89.9 2.88e+003 1000 Sediment 1.18 1.3e+004 0 Persistence Time: 2.86e+003 hr
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