Try beta.chemspider
8-[3-(4-Bromophenoxy)propoxy]quinoline
c1cc2cccnc2c(c1)OCCCOc3ccc(cc3)Br
InChI=1S/C18H16BrNO2/c19-15-7-9-16(10-8-15)21-12-3-13-22-17-6-1-4-14-5-2-11-20-18(14)17/h1-2,4-11H,3,12-13H2
ZXGHSDYGQIHVLX-UHFFFAOYSA-N
CSID:1707763, http://www.chemspider.com/Chemical-Structure.1707763.html (accessed 07:35, Jul 9, 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) = 5.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 436.60 (Adapted Stein & Brown method) Melting Pt (deg C): 174.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3E-008 (Modified Grain method) Subcooled liquid VP: 1.05E-006 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): 0.1529 log Kow used: 5.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.77493 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.24E-010 atm-m3/mole Group Method: 1.38E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.249E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.34 (KowWin est) Log Kaw used: -8.295 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.635 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7305 Biowin2 (Non-Linear Model) : 0.6771 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1553 (months ) Biowin4 (Primary Survey Model) : 3.3316 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4341 Biowin6 (MITI Non-Linear Model): 0.2353 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3158 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): 0.00014 Pa (1.05E-006 mm Hg) Log Koa (Koawin est ): 13.635 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0214 Octanol/air (Koa) model: 10.6 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.436 Mackay model : 0.632 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 150.0721 E-12 cm3/molecule-sec Half-Life = 0.071 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.855 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.534 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.241E+005 Log Koc: 5.094 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 = 3.410 (BCF = 2568) log Kow used: 5.34 (estimated) Volatilization from Water: Henry LC: 1.38E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.03E+004 hours (3346 days) Half-Life from Model Lake : 8.762E+005 hours (3.651E+004 days) Removal In Wastewater Treatment: Total removal: 85.90 percent Total biodegradation: 0.73 percent Total sludge adsorption: 85.17 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 0.022 1.71 1000 Water 6.03 1.44e+003 1000 Soil 56.2 2.88e+003 1000 Sediment 37.7 1.3e+004 0 Persistence Time: 2.91e+003 hr
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