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2-(2-{[2-(Acryloyloxy)ethoxy]methyl}-2-[(2-methoxyethoxy)methyl]butoxy)ethyl acrylate
CCC(COCCOC)(COCCOC(=O)C=C)COCCOC(=O)C=C
InChI=1S/C19H32O8/c1-5-17(20)26-12-10-24-15-19(7-3,14-23-9-8-22-4)16-25-11-13-27-18(21)6-2/h5-6H,1-2,7-16H2,3-4H3
SBOXDRICSJHEBA-UHFFFAOYSA-N
CSID:3719572, http://www.chemspider.com/Chemical-Structure.3719572.html (accessed 07:18, Apr 23, 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) = 1.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 393.28 (Adapted Stein & Brown method) Melting Pt (deg C): 83.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.31E-006 (Modified Grain method) Subcooled liquid VP: 1.21E-005 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): 239.8 log Kow used: 1.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6477.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Surfactants-nonionic Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.10E-014 atm-m3/mole Group Method: 6.89E-019 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.055E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.38 (KowWin est) Log Kaw used: -12.066 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.446 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6624 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3743 (weeks-months) Biowin4 (Primary Survey Model) : 3.5528 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8495 Biowin6 (MITI Non-Linear Model): 0.6635 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5238 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): 0.00161 Pa (1.21E-005 mm Hg) Log Koa (Koawin est ): 13.446 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00186 Octanol/air (Koa) model: 6.85 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0629 Mackay model : 0.129 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 73.2865 E-12 cm3/molecule-sec Half-Life = 0.146 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.751 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.350000 E-17 cm3/molecule-sec Half-Life = 3.274 Days (at 7E11 mol/cm3) Half-Life = 78.583 Hrs Fraction sorbed to airborne particulates (phi): 0.0962 (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 : 1.063E-001 L/mol-sec Kb Half-Life at pH 8: 75.466 days Kb Half-Life at pH 7: 2.066 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.362 (BCF = 2.3) log Kow used: 1.38 (estimated) Volatilization from Water: Henry LC: 6.89E-019 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.675E+015 hours (6.978E+013 days) Half-Life from Model Lake : 1.827E+016 hours (7.613E+014 days) Removal In Wastewater Treatment: Total removal: 1.94 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.85 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 8.77e-012 3.35 1000 Water 35.1 900 1000 Soil 64.8 1.8e+003 1000 Sediment 0.0836 8.1e+003 0 Persistence Time: 1.15e+003 hr
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