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2-Ethylhexyl 3-phenylacrylate
CCCCC(CC)COC(=O)C=Cc1ccccc1
InChI=1S/C17H24O2/c1-3-5-9-15(4-2)14-19-17(18)13-12-16-10-7-6-8-11-16/h6-8,10-13,15H,3-5,9,14H2,1-2H3
OUCGLXKNITVPJS-UHFFFAOYSA-N
CSID:77576, http://www.chemspider.com/Chemical-Structure.77576.html (accessed 19:28, May 21, 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) = 5.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 336.61 (Adapted Stein & Brown method) Melting Pt (deg C): 69.87 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000103 (Modified Grain method) Subcooled liquid VP: 0.000274 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): 0.2692 log Kow used: 5.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.27286 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.01E-005 atm-m3/mole Group Method: 1.04E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.311E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.72 (KowWin est) Log Kaw used: -2.910 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.630 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0343 Biowin2 (Non-Linear Model) : 0.9991 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0843 (weeks ) Biowin4 (Primary Survey Model) : 3.9750 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5319 Biowin6 (MITI Non-Linear Model): 0.5497 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0891 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): 0.0365 Pa (0.000274 mm Hg) Log Koa (Koawin est ): 8.630 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.21E-005 Octanol/air (Koa) model: 0.000105 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00296 Mackay model : 0.00653 Octanol/air (Koa) model: 0.00831 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.4796 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 35.1396 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 3.952 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 3.653 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Trans-] Half-Life = 1.091 Days (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 0.00474 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.726E+004 Log Koc: 4.237 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.176E-003 L/mol-sec Kb Half-Life at pH 8: 3.556 years Kb Half-Life at pH 7: 35.562 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.705 (BCF = 5074) log Kow used: 5.72 (estimated) Volatilization from Water: Henry LC: 1.04E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 92.49 hours (3.854 days) Half-Life from Model Lake : 1144 hours (47.68 days) Removal In Wastewater Treatment: Total removal: 90.50 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.72 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.333 6.07 1000 Water 9.99 360 1000 Soil 42.5 720 1000 Sediment 47.1 3.24e+003 0 Persistence Time: 816 hr
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