2-Chloro-1-(chlorooxy)-1-oxoethane
ClCC(=O)OCl
InChI=1S/C2H2Cl2O2/c3-1-2(5)6-4/h1H2
PUPMIHYXTJXEIS-UHFFFAOYSA-N
CSID:9507421, http://www.chemspider.com/Chemical-Structure.9507421.html (accessed 01:16, Apr 18, 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) = 0.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 129.88 (Adapted Stein & Brown method) Melting Pt (deg C): -48.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 10.1 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.312e+004 log Kow used: 0.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 66672 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]: 3.974E-005 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) : 0.5748 Biowin2 (Non-Linear Model) : 0.3374 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7410 (weeks-months) Biowin4 (Primary Survey Model) : 3.5611 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3790 Biowin6 (MITI Non-Linear Model): 0.1968 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8474 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): 1.24E+003 Pa (9.32 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.41E-009 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.72E-008 Mackay model : 1.93E-007 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1100 E-12 cm3/molecule-sec Half-Life = 97.214 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.4E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.254 Log Koc: 0.917 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.937E+007 L/mol-sec Kb Half-Life at pH 8: 0.012 seconds Kb Half-Life at pH 7: 0.117 seconds Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.39 (estimated) Volatilization from Water: Henry LC: 3.97E-005 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 17.89 hours Half-Life from Model Lake : 290.4 hours (12.1 days) Removal In Wastewater Treatment: Total removal: 3.93 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.73 percent Total to Air: 2.11 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 10.5 2.33e+003 1000 Water 49.8 900 1000 Soil 39.5 1.8e+003 1000 Sediment 0.098 8.1e+003 0 Persistence Time: 472 hr
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