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Methyl 2-chloroacrylate
COC(=O)C(=C)Cl
InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3
AWJZTPWDQYFQPQ-UHFFFAOYSA-N
CSID:6407, http://www.chemspider.com/Chemical-Structure.6407.html (accessed 10:02, Apr 25, 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) = 1.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 105.93 (Adapted Stein & Brown method) Melting Pt (deg C): -66.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 29 (Mean VP of Antoine & Grain methods) BP (exp database): 52 @ 51 mm Hg deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9071 log Kow used: 1.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14277 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.65E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.071E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.22 (KowWin est) Log Kaw used: -2.566 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.786 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7530 Biowin2 (Non-Linear Model) : 0.9714 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8998 (weeks ) Biowin4 (Primary Survey Model) : 3.8022 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7112 Biowin6 (MITI Non-Linear Model): 0.7170 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7667 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.65E+003 Pa (27.4 mm Hg) Log Koa (Koawin est ): 3.786 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.21E-010 Octanol/air (Koa) model: 1.5E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.97E-008 Mackay model : 6.57E-008 Octanol/air (Koa) model: 1.2E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.9955 E-12 cm3/molecule-sec Half-Life = 2.677 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 32.124 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.025025 E-17 cm3/molecule-sec Half-Life = 45.794 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 4.77E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10.14 Log Koc: 1.006 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.403E-003 L/mol-sec Kb Half-Life at pH 8: 6.455 years Kb Half-Life at pH 7: 64.549 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.239 (BCF = 1.736) log Kow used: 1.22 (estimated) Volatilization from Water: Henry LC: 6.65E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 10.79 hours Half-Life from Model Lake : 209.7 hours (8.739 days) Removal In Wastewater Treatment: Total removal: 5.25 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 3.39 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 7.72 60.7 1000 Water 41.1 360 1000 Soil 51.1 720 1000 Sediment 0.087 3.24e+003 0 Persistence Time: 299 hr
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