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Methyl tribromoacetate
COC(=O)C(Br)(Br)Br
InChI=1S/C3H3Br3O2/c1-8-2(7)3(4,5)6/h1H3
QQHSHLKOWBDOFC-UHFFFAOYSA-N
CSID:454080, http://www.chemspider.com/Chemical-Structure.454080.html (accessed 06:30, Jun 13, 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) = 2.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 242.88 (Adapted Stein & Brown method) Melting Pt (deg C): 43.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0259 (Modified Grain method) Subcooled liquid VP: 0.0383 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): 209.1 log Kow used: 2.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1729.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.68E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.065E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.00 (KowWin est) Log Kaw used: -4.960 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.960 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4513 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5274 (weeks-months) Biowin4 (Primary Survey Model) : 3.5810 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4896 Biowin6 (MITI Non-Linear Model): 0.0052 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.6714 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): 5.11 Pa (0.0383 mm Hg) Log Koa (Koawin est ): 6.960 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.87E-007 Octanol/air (Koa) model: 2.24E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.12E-005 Mackay model : 4.7E-005 Octanol/air (Koa) model: 0.000179 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0490 E-12 cm3/molecule-sec Half-Life = 218.464 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.41E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.65 Log Koc: 1.166 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.438E+002 L/mol-sec Kb Half-Life at pH 8: 47.385 minutes Kb Half-Life at pH 7: 7.898 hours Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.838 (BCF = 6.884) log Kow used: 2.00 (estimated) Volatilization from Water: Henry LC: 2.68E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3853 hours (160.5 days) Half-Life from Model Lake : 4.218E+004 hours (1758 days) Removal In Wastewater Treatment: Total removal: 2.26 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.15 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.59 5.24e+003 1000 Water 26.2 900 1000 Soil 72.2 1.8e+003 1000 Sediment 0.101 8.1e+003 0 Persistence Time: 1.11e+003 hr
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