Try beta.chemspider
3,4'-Dibromobiphenyl
c1cc(cc(c1)Br)c2ccc(cc2)Br
InChI=1S/C12H8Br2/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8H
DLAKCVTXQRIHEY-UHFFFAOYSA-N
CSID:136006, http://www.chemspider.com/Chemical-Structure.136006.html (accessed 21:46, Jun 15, 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) = 5.54 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): 2.46E-005 (Modified Grain method) Subcooled liquid VP: 0.000163 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): 0.1951 log Kow used: 5.54 (estimated) 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]: 5.176E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.54 (KowWin est) Log Kaw used: -2.571 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.111 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): 0.0217 Pa (0.000163 mm Hg) Log Koa (Koawin est ): 8.111 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000138 Octanol/air (Koa) model: 3.17E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00496 Mackay model : 0.0109 Octanol/air (Koa) model: 0.00253 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.3438 E-12 cm3/molecule-sec Half-Life = 4.564 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 54.763 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00794 (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 = 4.183 (BCF = 1.526e+004) log Kow used: 5.54 (estimated) 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: 88.82 percent Total biodegradation: 0.75 percent Total sludge adsorption: 87.85 percent Total to Air: 0.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.845 110 1000 Water 4.72 1.44e+003 1000 Soil 50.8 2.88e+003 1000 Sediment 43.6 1.3e+004 0 Persistence Time: 2.76e+003 hr
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