Bromine
BrBr
InChI=1S/Br2/c1-2
GDTBXPJZTBHREO-UHFFFAOYSA-N
CSID:22817, http://www.chemspider.com/Chemical-Structure.22817.html (accessed 20:07, Nov 30, 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) = 1.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 512.95 (Adapted Stein & Brown method) Melting Pt (deg C): 202.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 220 (Mean VP of Antoine & Grain methods) MP (exp database): -7.25 deg C BP (exp database): 58.8 deg C VP (exp database): 2.12E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9077 log Kow used: 1.03 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 3.5e+004 mg/L (20 deg C) Exper. Ref: MILLS,JF (1985) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20661 mg/L Wat Sol (Exper. database match) = 35000.00 Exper. Ref: MILLS,JF (1985) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: 2.45E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.096E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6715 Biowin2 (Non-Linear Model) : 0.6769 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8460 (weeks ) Biowin4 (Primary Survey Model) : 3.6172 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2367 Biowin6 (MITI Non-Linear Model): 0.1103 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 2.83E+004 Pa (212 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.06E-010 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.83E-009 Mackay model : 8.49E-009 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.16E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.482E-008 L/mol-sec Kb Half-Life at pH 8: 8.849E+005 years Kb Half-Life at pH 7: 8.849E+006 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.092 (BCF = 1.236) log Kow used: 1.03 (estimated) Volatilization from Water: Henry LC: 0.0245 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.32 hours Half-Life from Model Lake : 120.4 hours (5.017 days) Removal In Wastewater Treatment: Total removal: 90.51 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.42 percent Total to Air: 90.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 56 1e+005 1000 Water 42.5 360 1000 Soil 1.38 720 1000 Sediment 0.0857 3.24e+003 0 Persistence Time: 146 hr
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