- Charge
2-Bromoethanesulfonate
C(CBr)S(=O)(=O)[O-]
InChI=1S/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)/p-1
OQFSYHWITGFERZ-UHFFFAOYSA-M
CSID:4268740, http://www.chemspider.com/Chemical-Structure.4268740.html (accessed 12:22, Oct 3, 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) = -1.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 289.71 (Adapted Stein & Brown method) Melting Pt (deg C): 73.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.04E-005 (Modified Grain method) Subcooled liquid VP: 0.00026 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): 1e+006 log Kow used: -1.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.93E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.248E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.55 (KowWin est) Log Kaw used: -7.103 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.553 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7198 Biowin2 (Non-Linear Model) : 0.9379 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0030 (weeks ) Biowin4 (Primary Survey Model) : 3.7875 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3454 Biowin6 (MITI Non-Linear Model): 0.0673 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.2471 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): 0.0347 Pa (0.00026 mm Hg) Log Koa (Koawin est ): 5.553 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.65E-005 Octanol/air (Koa) model: 8.77E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00312 Mackay model : 0.00688 Octanol/air (Koa) model: 7.02E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.8913 E-12 cm3/molecule-sec Half-Life = 12.000 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.782 Log Koc: 0.251 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 = 0.500 (BCF = 3.162) log Kow used: -1.55 (estimated) Volatilization from Water: Henry LC: 1.93E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.171E+005 hours (1.738E+004 days) Half-Life from Model Lake : 4.55E+006 hours (1.896E+005 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0455 288 1000 Water 39 360 1000 Soil 60.8 720 1000 Sediment 0.0714 3.24e+003 0 Persistence Time: 577 hr
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