Try beta.chemspider
2-Chloro-1-propen-1-one
CC(=C=O)Cl
InChI=1S/C3H3ClO/c1-3(4)2-5/h1H3
FXOZTKUZOKFJLB-UHFFFAOYSA-N
CSID:12170, http://www.chemspider.com/Chemical-Structure.12170.html (accessed 10:31, May 11, 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) = 0.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 22.78 (Adapted Stein & Brown method) Melting Pt (deg C): -105.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 825 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.853e+004 log Kow used: 0.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11058 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]: 1.546E-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) : 0.5931 Biowin2 (Non-Linear Model) : 0.4677 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8260 (weeks ) Biowin4 (Primary Survey Model) : 3.6165 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4444 Biowin6 (MITI Non-Linear Model): 0.3303 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7419 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): 1.1E+005 Pa (825 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.73E-011 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.85E-010 Mackay model : 2.18E-009 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.2360 E-12 cm3/molecule-sec Half-Life = 0.460 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.524 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.008133 E-17 cm3/molecule-sec Half-Life = 140.905 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 1.58E-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: 0.38 (estimated) Volatilization from Water: Henry LC: 0.00155 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.331 hours Half-Life from Model Lake : 94.29 hours (3.929 days) Removal In Wastewater Treatment: Total removal: 41.51 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.15 percent Total to Air: 40.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 11.5 11 1000 Water 72.2 360 1000 Soil 16.1 720 1000 Sediment 0.135 3.24e+003 0 Persistence Time: 93.6 hr
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