Try beta.chemspider
Tribromoborane
B(Br)(Br)Br
InChI=1S/BBr3/c2-1(3)4
ILAHWRKJUDSMFH-UHFFFAOYSA-N
CSID:23479, http://www.chemspider.com/Chemical-Structure.23479.html (accessed 18:31, Apr 25, 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) = 1.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 549.97 (Adapted Stein & Brown method) Melting Pt (deg C): 222.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 64.8 (Mean VP of Antoine & Grain methods) MP (exp database): -46 deg C BP (exp database): 90 deg C VP (exp database): 1.00E+02 mm Hg at 33 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1417 log Kow used: 1.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8741.4 mg/L 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: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.507E-002 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) : 0.6283 Biowin2 (Non-Linear Model) : 0.3662 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6455 (weeks-months) Biowin4 (Primary Survey Model) : 3.4863 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0332 Biowin6 (MITI Non-Linear Model): 0.0090 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): 8.31E+003 Pa (62.3 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.61E-010 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.3E-008 Mackay model : 2.89E-008 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): 2.1E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 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 = 0.400 (BCF = 2.51) log Kow used: 1.43 (estimated) Volatilization from Water: Henry LC: 0.0151 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.677 hours Half-Life from Model Lake : 151 hours (6.292 days) Removal In Wastewater Treatment: Total removal: 85.50 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.54 percent Total to Air: 84.93 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 50.8 1e+005 1000 Water 46.9 900 1000 Soil 2.2 1.8e+003 1000 Sediment 0.114 8.1e+003 0 Persistence Time: 169 hr
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