2-Bromobenzo[f]quinoline
c1ccc2c(c1)ccc3c2cc(cn3)Br
InChI=1S/C13H8BrN/c14-10-7-12-11-4-2-1-3-9(11)5-6-13(12)15-8-10/h1-8H
VPNLYKPIVSDMAS-UHFFFAOYSA-N
CSID:166591, http://www.chemspider.com/Chemical-Structure.166591.html (accessed 18:07, Dec 9, 2023)
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) = 4.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 364.43 (Adapted Stein & Brown method) Melting Pt (deg C): 127.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.71E-006 (Modified Grain method) Subcooled liquid VP: 5.98E-005 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): 0.4213 log Kow used: 4.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 43.028 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.68E-008 atm-m3/mole Group Method: 4.45E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.603E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.21 (KowWin est) Log Kaw used: -5.960 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.170 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5143 Biowin2 (Non-Linear Model) : 0.0883 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4928 (weeks-months) Biowin4 (Primary Survey Model) : 3.3218 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1768 Biowin6 (MITI Non-Linear Model): 0.0785 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0726 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): 0.00797 Pa (5.98E-005 mm Hg) Log Koa (Koawin est ): 10.170 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000376 Octanol/air (Koa) model: 0.00363 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0134 Mackay model : 0.0292 Octanol/air (Koa) model: 0.225 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.6656 E-12 cm3/molecule-sec Half-Life = 1.888 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.655 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0213 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.373E+004 Log Koc: 4.528 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 = 2.541 (BCF = 347.2) log Kow used: 4.21 (estimated) Volatilization from Water: Henry LC: 4.45E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.114E+004 hours (880.8 days) Half-Life from Model Lake : 2.307E+005 hours (9615 days) Removal In Wastewater Treatment: Total removal: 40.46 percent Total biodegradation: 0.40 percent Total sludge adsorption: 40.06 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 0.241 45.3 1000 Water 11.8 900 1000 Soil 83.4 1.8e+003 1000 Sediment 4.56 8.1e+003 0 Persistence Time: 1.68e+003 hr
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