1'-Allyl-2,3'-biquinolin-2'(1'H)-one
O=C2/C(=C\c1c(cccc1)N2C\C=C)c3nc4c(cc3)cccc4 CopyCopied
InChI=1S/C21H16N2O/c1-2-13-23-20-10-6-4-8-16(20)14-17(21(23)24)19-12-11-15-7-3-5-9-18(15)22-19/h2-12,14H,1,13H2 CopyCopied
MFSIKAUPXYHVJS-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 494.20 (Adapted Stein & Brown method) Melting Pt (deg C): 209.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.19E-010 (Modified Grain method) Subcooled liquid VP: 3.85E-008 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): 4.796 log Kow used: 3.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 16.635 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.02E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.591E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.91 (KowWin est) Log Kaw used: -11.380 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.290 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8090 Biowin2 (Non-Linear Model) : 0.7798 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4547 (weeks-months) Biowin4 (Primary Survey Model) : 3.6025 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0658 Biowin6 (MITI Non-Linear Model): 0.0206 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9542 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): 5.13E-006 Pa (3.85E-008 mm Hg) Log Koa (Koawin est ): 15.290 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.584 Octanol/air (Koa) model: 479 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.955 Mackay model : 0.979 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 83.1237 E-12 cm3/molecule-sec Half-Life = 0.129 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.544 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 26.400000 E-17 cm3/molecule-sec Half-Life = 0.043 Days (at 7E11 mol/cm3) Half-Life = 1.042 Hrs Fraction sorbed to airborne particulates (phi): 0.967 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.486E+005 Log Koc: 5.172 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 = 2.308 (BCF = 203.1) log Kow used: 3.91 (estimated) Volatilization from Water: Henry LC: 1.02E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.014E+010 hours (4.227E+008 days) Half-Life from Model Lake : 1.107E+011 hours (4.611E+009 days) Removal In Wastewater Treatment: Total removal: 26.13 percent Total biodegradation: 0.29 percent Total sludge adsorption: 25.84 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 2.43e-005 0.779 1000 Water 11.1 900 1000 Soil 86.8 1.8e+003 1000 Sediment 2.11 8.1e+003 0 Persistence Time: 1.88e+003 hr
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