1-Bromo-2-(hexyloxy)benzene
Brc1ccccc1OCCCCCC CopyCopied
InChI=1S/C12H17BrO/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13/h5-6,8-9H,2-4,7,10H2,1H3 CopyCopied
PAEVDESICZHIJU-UHFFFAOYSA-N CopyCopied
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1-bromo-2-(hexyloxy)benzene
1-bromo-2-hexyloxybenzene
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) = 5.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 291.70 (Adapted Stein & Brown method) Melting Pt (deg C): 64.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00129 (Modified Grain method) Subcooled liquid VP: 0.00303 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): 0.508 log Kow used: 5.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.72702 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.24E-004 atm-m3/mole Group Method: 9.74E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.593E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.42 (KowWin est) Log Kaw used: -1.669 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.089 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7551 Biowin2 (Non-Linear Model) : 0.8546 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7351 (weeks-months) Biowin4 (Primary Survey Model) : 3.6694 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5894 Biowin6 (MITI Non-Linear Model): 0.6396 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3650 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): 0.404 Pa (0.00303 mm Hg) Log Koa (Koawin est ): 7.089 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.43E-006 Octanol/air (Koa) model: 3.01E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000268 Mackay model : 0.000594 Octanol/air (Koa) model: 0.000241 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 21.3343 E-12 cm3/molecule-sec Half-Life = 0.501 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.016 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000431 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4156 Log Koc: 3.619 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 = 3.473 (BCF = 2971) log Kow used: 5.42 (estimated) Volatilization from Water: Henry LC: 0.00974 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.733 hours Half-Life from Model Lake : 153.4 hours (6.39 days) Removal In Wastewater Treatment: Total removal: 91.91 percent Total biodegradation: 0.53 percent Total sludge adsorption: 74.69 percent Total to Air: 16.70 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.56 12 1000 Water 5.68 900 1000 Soil 62.7 1.8e+003 1000 Sediment 31.1 8.1e+003 0 Persistence Time: 1.33e+003 hr
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