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6-Bromo-2-(5-bromo-2-furyl)-4-phenylquinoline
c1ccc(cc1)c2cc(nc3c2cc(cc3)Br)c4ccc(o4)Br
InChI=1S/C19H11Br2NO/c20-13-6-7-16-15(10-13)14(12-4-2-1-3-5-12)11-17(22-16)18-8-9-19(21)23-18/h1-11H
DAYCQFMLXFKJCL-UHFFFAOYSA-N
CSID:2139599, http://www.chemspider.com/Chemical-Structure.2139599.html (accessed 23:07, Jul 5, 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) = 6.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 500.56 (Adapted Stein & Brown method) Melting Pt (deg C): 212.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.67E-010 (Modified Grain method) Subcooled liquid VP: 2.66E-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): 0.003021 log Kow used: 6.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.10658 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.43E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.990E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.82 (KowWin est) Log Kaw used: -7.580 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.400 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4507 Biowin2 (Non-Linear Model) : 0.0096 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0009 (months ) Biowin4 (Primary Survey Model) : 2.9265 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1405 Biowin6 (MITI Non-Linear Model): 0.0039 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0045 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): 3.55E-006 Pa (2.66E-008 mm Hg) Log Koa (Koawin est ): 14.400 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.846 Octanol/air (Koa) model: 61.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.968 Mackay model : 0.985 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.5233 E-12 cm3/molecule-sec Half-Life = 0.389 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.663 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.977 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.806E+006 Log Koc: 6.581 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 = 4.552 (BCF = 3.561e+004) log Kow used: 6.82 (estimated) Volatilization from Water: Henry LC: 6.43E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.886E+006 hours (7.859E+004 days) Half-Life from Model Lake : 2.058E+007 hours (8.574E+005 days) Removal In Wastewater Treatment: Total removal: 93.75 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.97 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 0.0321 9.33 1000 Water 1.48 1.44e+003 1000 Soil 38.9 2.88e+003 1000 Sediment 59.6 1.3e+004 0 Persistence Time: 5.36e+003 hr
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