- Double-bond stereo
(2Z)-4-[2-(Methacryloyloxy)ethoxy]-4-oxo-2-butenoic acid
CC(=C)C(=O)OCCOC(=O)/C=C\C(=O)O
InChI=1S/C10H12O6/c1-7(2)10(14)16-6-5-15-9(13)4-3-8(11)12/h3-4H,1,5-6H2,2H3,(H,11,12)/b4-3-
HSFXEOPJXMFQHG-ARJAWSKDSA-N
CSID:4941622, http://www.chemspider.com/Chemical-Structure.4941622.html (accessed 06:11, Mar 29, 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) = 1.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 322.85 (Adapted Stein & Brown method) Melting Pt (deg C): 32.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000495 (Modified Grain method) Subcooled liquid VP: 0.000575 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1991 log Kow used: 1.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18017 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates-acid Methacrylates-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.13E-012 atm-m3/mole Group Method: 4.25E-014 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.465E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.86 (KowWin est) Log Kaw used: -10.335 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.195 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0600 Biowin2 (Non-Linear Model) : 0.9998 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3399 (days-weeks ) Biowin4 (Primary Survey Model) : 4.3620 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0259 Biowin6 (MITI Non-Linear Model): 0.9506 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0449 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): 0.0767 Pa (0.000575 mm Hg) Log Koa (Koawin est ): 12.195 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.91E-005 Octanol/air (Koa) model: 0.385 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00141 Mackay model : 0.00312 Octanol/air (Koa) model: 0.969 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.2312 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 30.1622 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 4.391 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 4.255 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 1.225000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 1.312500 E-17 cm3/molecule-sec [Trans-] Half-Life = 22.452 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 20.955 Hrs (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 0.00227 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.712E-001 L/mol-sec Kb Half-Life at pH 8: 17.025 days Kb Half-Life at pH 7: 170.248 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 1.86 (estimated) Volatilization from Water: Henry LC: 4.25E-014 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.081E+010 hours (8.671E+008 days) Half-Life from Model Lake : 2.27E+011 hours (9.459E+009 days) Removal In Wastewater Treatment: Total removal: 2.14 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.04 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.33e-006 6.31 1000 Water 23.8 208 1000 Soil 76.1 416 1000 Sediment 0.0669 1.87e+003 0 Persistence Time: 435 hr
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