2-Bromo-4-fluorobiphenyl
Brc2cc(F)ccc2c1ccccc1 CopyCopied
InChI=1S/C12H8BrF/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9/h1-8H CopyCopied
IGMOABJCVUOIRU-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,1'-biphenyl, 2-bromo-4-fluoro-
258-655-5 [EINECS]
2-Bromo-4-fluorobiphenyl [ACD/IUPAC Name]
2-bromo-4-fluoro-1,1'-biphenyl
53591-98-3 [RN]
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) = 4.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 309.24 (Adapted Stein & Brown method) Melting Pt (deg C): 78.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00037 (Modified Grain method) Subcooled liquid VP: 0.00119 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): 1.691 log Kow used: 4.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.3936 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.92E-004 atm-m3/mole Group Method: 4.99E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.229E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.85 (KowWin est) Log Kaw used: -2.105 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.955 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1642 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1233 (months ) Biowin4 (Primary Survey Model) : 3.3503 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2150 Biowin6 (MITI Non-Linear Model): 0.0019 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2908 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): 0.159 Pa (0.00119 mm Hg) Log Koa (Koawin est ): 6.955 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.89E-005 Octanol/air (Koa) model: 2.21E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000682 Mackay model : 0.00151 Octanol/air (Koa) model: 0.000177 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.8759 E-12 cm3/molecule-sec Half-Life = 3.719 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 44.631 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.674E+004 Log Koc: 4.224 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 = 3.652 (BCF = 4493) log Kow used: 4.85 (estimated) Volatilization from Water: Henry LC: 0.000499 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.476 hours Half-Life from Model Lake : 170.8 hours (7.116 days) Removal In Wastewater Treatment: Total removal: 74.65 percent Total biodegradation: 0.60 percent Total sludge adsorption: 69.40 percent Total to Air: 4.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.62 89.3 1000 Water 6.03 1.44e+003 1000 Soil 79.1 2.88e+003 1000 Sediment 13.2 1.3e+004 0 Persistence Time: 1.73e+003 hr
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