Dichloroethenone
C(=C(Cl)Cl)=O
InChI=1S/C2Cl2O/c3-2(4)1-5
TVWWMKZMZALOFP-UHFFFAOYSA-N
CSID:70708, http://www.chemspider.com/Chemical-Structure.70708.html (accessed 18:35, Apr 19, 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) = 0.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 36.04 (Adapted Stein & Brown method) Melting Pt (deg C): -92.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 502 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.676e+004 log Kow used: 0.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7355.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.291E-003 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) : 0.4720 Biowin2 (Non-Linear Model) : 0.0935 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6077 (weeks-months) Biowin4 (Primary Survey Model) : 3.4865 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3843 Biowin6 (MITI Non-Linear Model): 0.1240 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8068 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): 6.68E+004 Pa (501 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.49E-011 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.62E-009 Mackay model : 3.59E-009 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.8510 E-12 cm3/molecule-sec Half-Life = 2.205 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 26.459 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.000179 E-17 cm3/molecule-sec Half-Life = 6404.776 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 2.61E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.591 Log Koc: 0.414 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: 0.33 (estimated) Volatilization from Water: Henry LC: 0.00129 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.552 hours Half-Life from Model Lake : 105.2 hours (4.385 days) Removal In Wastewater Treatment: Total removal: 35.83 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.24 percent Total to Air: 34.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 24.6 52.9 1000 Water 61.9 900 1000 Soil 13.3 1.8e+003 1000 Sediment 0.121 8.1e+003 0 Persistence Time: 146 hr
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