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1,1,1-Trichloro-2-(chlorooxy)-2-oxoethane
C(=O)(C(Cl)(Cl)Cl)OCl
InChI=1S/C2Cl4O2/c3-2(4,5)1(7)8-6
VLIXEPGDBDQPLR-UHFFFAOYSA-N
CSID:13230989, http://www.chemspider.com/Chemical-Structure.13230989.html (accessed 00:45, May 7, 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) = 1.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 154.22 (Adapted Stein & Brown method) Melting Pt (deg C): -10.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.29 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2389 log Kow used: 1.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8333.5 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]: 3.585E-004 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) : 0.1353 Biowin2 (Non-Linear Model) : 0.0008 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0303 (months ) Biowin4 (Primary Survey Model) : 3.1070 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1945 Biowin6 (MITI Non-Linear Model): 0.0090 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4579 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): 401 Pa (3.01 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.48E-009 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.7E-007 Mackay model : 5.98E-007 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): 4.34E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 18.82 Log Koc: 1.275 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.054E+010 L/mol-sec Kb Half-Life at pH 8: 0.000 seconds Kb Half-Life at pH 7: 0.001 seconds Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.449 (BCF = 2.809) log Kow used: 1.49 (estimated) Volatilization from Water: Henry LC: 0.000358 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 3.732 hours Half-Life from Model Lake : 158.7 hours (6.611 days) Removal In Wastewater Treatment: Total removal: 15.77 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.66 percent Total to Air: 14.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 24.5 1e+005 1000 Water 41.7 1.44e+003 1000 Soil 33.6 2.88e+003 1000 Sediment 0.107 1.3e+004 0 Persistence Time: 317 hr
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