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Allyl methacrylate
CC(=C)C(=O)OCC=C
InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3
FBCQUCJYYPMKRO-UHFFFAOYSA-N
CSID:7003, http://www.chemspider.com/Chemical-Structure.7003.html (accessed 06:48, Dec 1, 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) = 2.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 138.95 (Adapted Stein & Brown method) Melting Pt (deg C): -56.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.67 (Mean VP of Antoine & Grain methods) BP (exp database): 60 @ 43 mm Hg deg C VP (exp database): 5.77E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1470 log Kow used: 2.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2402.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Methacrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.90E-004 atm-m3/mole Group Method: 4.06E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.532E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.12 (KowWin est) Log Kaw used: -2.110 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.230 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8617 Biowin2 (Non-Linear Model) : 0.9950 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0606 (weeks ) Biowin4 (Primary Survey Model) : 3.8947 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7613 Biowin6 (MITI Non-Linear Model): 0.8723 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5867 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): 769 Pa (5.77 mm Hg) Log Koa (Koawin est ): 4.230 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.9E-009 Octanol/air (Koa) model: 4.17E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.41E-007 Mackay model : 3.12E-007 Octanol/air (Koa) model: 3.33E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 45.9204 E-12 cm3/molecule-sec Half-Life = 0.233 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.795 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.337500 E-17 cm3/molecule-sec Half-Life = 0.490 Days (at 7E11 mol/cm3) Half-Life = 11.766 Hrs Fraction sorbed to airborne particulates (phi): 2.26E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 34.48 Log Koc: 1.538 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.219E-003 L/mol-sec Kb Half-Life at pH 8: 2.382 years Kb Half-Life at pH 7: 23.823 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.933 (BCF = 8.572) log Kow used: 2.12 (estimated) Volatilization from Water: Henry LC: 0.000406 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.766 hours Half-Life from Model Lake : 124.4 hours (5.181 days) Removal In Wastewater Treatment: Total removal: 17.46 percent Total biodegradation: 0.08 percent Total sludge adsorption: 2.01 percent Total to Air: 15.37 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.36 3.79 1000 Water 33.8 360 1000 Soil 64.7 720 1000 Sediment 0.137 3.24e+003 0 Persistence Time: 236 hr
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