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1,2-Dibromoethyl acetate
CC(=O)OC(CBr)Br
InChI=1S/C4H6Br2O2/c1-3(7)8-4(6)2-5/h4H,2H2,1H3
UXPDRIMBYCEVCO-UHFFFAOYSA-N
CSID:30006, http://www.chemspider.com/Chemical-Structure.30006.html (accessed 11:39, Jun 17, 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) = 1.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 208.39 (Adapted Stein & Brown method) Melting Pt (deg C): 8.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.237 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1364 log Kow used: 1.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4912 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.09E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.622E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.48 (KowWin est) Log Kaw used: -3.898 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.378 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7123 Biowin2 (Non-Linear Model) : 0.0050 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8539 (weeks ) Biowin4 (Primary Survey Model) : 3.7927 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5170 Biowin6 (MITI Non-Linear Model): 0.0526 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.5067 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 29.1 Pa (0.218 mm Hg) Log Koa (Koawin est ): 5.378 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.03E-007 Octanol/air (Koa) model: 5.86E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.73E-006 Mackay model : 8.26E-006 Octanol/air (Koa) model: 4.69E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.5623 E-12 cm3/molecule-sec Half-Life = 19.023 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.99E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 18.31 Log Koc: 1.263 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.384E+001 L/mol-sec Kb Half-Life at pH 8: 5.690 hours Kb Half-Life at pH 7: 2.371 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.438 (BCF = 2.74) log Kow used: 1.48 (estimated) Volatilization from Water: Henry LC: 3.09E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 298.7 hours (12.45 days) Half-Life from Model Lake : 3390 hours (141.3 days) Removal In Wastewater Treatment: Total removal: 2.14 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.87 percent Total to Air: 0.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.69 456 1000 Water 36.2 360 1000 Soil 57 720 1000 Sediment 0.0851 3.24e+003 0 Persistence Time: 420 hr
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