4,4'-Dibromobiphenyl
c1cc(ccc1c2ccc(cc2)Br)Br
InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
HQJQYILBCQPYBI-UHFFFAOYSA-N
CSID:6843, http://www.chemspider.com/Chemical-Structure.6843.html (accessed 08:28, Nov 29, 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) = 5.54 Log Kow (Exper. database match) = 5.72 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 346.14 (Adapted Stein & Brown method) Melting Pt (deg C): 108.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.26E-006 (Modified Grain method) MP (exp database): 164 deg C BP (exp database): 357.5 deg C Subcooled liquid VP: 8.76E-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): 0.1361 log Kow used: 5.72 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.58127 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.57E-005 atm-m3/mole Group Method: 7.39E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.834E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.72 (exp database) Log Kaw used: -2.571 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.291 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3783 Biowin2 (Non-Linear Model) : 0.0083 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2377 (months ) Biowin4 (Primary Survey Model) : 3.0906 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1832 Biowin6 (MITI Non-Linear Model): 0.0747 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): 0.0117 Pa (8.76E-005 mm Hg) Log Koa (Koawin est ): 8.291 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000257 Octanol/air (Koa) model: 4.8E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00919 Mackay model : 0.0201 Octanol/air (Koa) model: 0.00382 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.5454 E-12 cm3/molecule-sec Half-Life = 6.921 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 83.056 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0147 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.64E+004 Log Koc: 4.215 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 = 4.324 (BCF = 2.111e+004) log Kow used: 5.72 (expkow database) Volatilization from Water: Henry LC: 7.39E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 15.8 hours Half-Life from Model Lake : 320.4 hours (13.35 days) Removal In Wastewater Treatment: Total removal: 90.53 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.63 percent Total to Air: 0.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.766 166 1000 Water 3.8 1.44e+003 1000 Soil 46.9 2.88e+003 1000 Sediment 48.5 1.3e+004 0 Persistence Time: 3.19e+003 hr
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