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3-(Acryloyloxy)-2-[(acryloyloxy)methyl]-2-methylpropyl acrylate
CC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
InChI=1S/C14H18O6/c1-5-11(15)18-8-14(4,9-19-12(16)6-2)10-20-13(17)7-3/h5-7H,1-3,8-10H2,4H3
HSZUHSXXAOWGQY-UHFFFAOYSA-N
CSID:79603, http://www.chemspider.com/Chemical-Structure.79603.html (accessed 13:53, 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) = 2.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 308.73 (Adapted Stein & Brown method) Melting Pt (deg C): 17.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00123 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 146.6 log Kow used: 2.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 243.81 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.53E-010 atm-m3/mole Group Method: 4.66E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.117E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.37 (KowWin est) Log Kaw used: -7.732 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.102 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9518 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7838 (weeks ) Biowin4 (Primary Survey Model) : 3.9739 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.1755 Biowin6 (MITI Non-Linear Model): 0.9754 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3541 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): 0.164 Pa (0.00123 mm Hg) Log Koa (Koawin est ): 10.102 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.83E-005 Octanol/air (Koa) model: 0.0031 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00066 Mackay model : 0.00146 Octanol/air (Koa) model: 0.199 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.2966 E-12 cm3/molecule-sec Half-Life = 0.321 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.855 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.525000 E-17 cm3/molecule-sec Half-Life = 2.183 Days (at 7E11 mol/cm3) Half-Life = 52.389 Hrs Fraction sorbed to airborne particulates (phi): 0.00106 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 964.7 Log Koc: 2.984 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.421E-002 L/mol-sec Kb Half-Life at pH 8: 331.330 days Kb Half-Life at pH 7: 9.071 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.126 (BCF = 13.37) log Kow used: 2.37 (estimated) Volatilization from Water: Henry LC: 4.66E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.111E+008 hours (8.796E+006 days) Half-Life from Model Lake : 2.303E+009 hours (9.595E+007 days) Removal In Wastewater Treatment: Total removal: 2.78 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.68 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 8.55e-005 6.72 1000 Water 19.5 360 1000 Soil 80.4 720 1000 Sediment 0.111 3.24e+003 0 Persistence Time: 744 hr
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