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1-{[1-(3-Methoxy-2,2-dimethylpropoxy)-2-propanyl]oxy}-2-propanyl acrylate
CC(COCC(C)(C)COC)OCC(C)OC(=O)C=C
InChI=1S/C15H28O5/c1-7-14(16)20-13(3)9-19-12(2)8-18-11-15(4,5)10-17-6/h7,12-13H,1,8-11H2,2-6H3
LWDGXUVUQWLJMH-UHFFFAOYSA-N
CSID:3879181, http://www.chemspider.com/Chemical-Structure.3879181.html (accessed 16:56, 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) = 2.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 308.65 (Adapted Stein & Brown method) Melting Pt (deg C): 65.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000509 (Modified Grain method) Subcooled liquid VP: 0.00123 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): 229.8 log Kow used: 2.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7523.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.43E-009 atm-m3/mole Group Method: 8.48E-012 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.405E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.10 (KowWin est) Log Kaw used: -7.233 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.333 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4416 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4640 (weeks-months) Biowin4 (Primary Survey Model) : 3.4780 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3869 Biowin6 (MITI Non-Linear Model): 0.1715 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9442 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): 0.164 Pa (0.00123 mm Hg) Log Koa (Koawin est ): 9.333 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.83E-005 Octanol/air (Koa) model: 0.000528 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00066 Mackay model : 0.00146 Octanol/air (Koa) model: 0.0406 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.1087 E-12 cm3/molecule-sec Half-Life = 0.187 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.248 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) 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 : 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 : 1.834E-002 L/mol-sec Kb Half-Life at pH 8: 1.198 years Kb Half-Life at pH 7: 11.975 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.919 (BCF = 8.29) log Kow used: 2.10 (estimated) Volatilization from Water: Henry LC: 8.48E-012 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.172E+008 hours (4.885E+006 days) Half-Life from Model Lake : 1.279E+009 hours (5.329E+007 days) Removal In Wastewater Treatment: Total removal: 2.35 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.25 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 7.87e-005 4.37 1000 Water 21.3 900 1000 Soil 78.6 1.8e+003 1000 Sediment 0.093 8.1e+003 0 Persistence Time: 1.47e+003 hr
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