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5-{[(2-Methyl-2-propanyl)(diphenyl)silyl]oxy}-2-vinylphenyl acetate
O=C(Oc3c(\C=C)ccc(O[Si](c1ccccc1)(c2ccccc2)C(C)(C)C)c3)C
InChI=1S/C26H28O3Si/c1-6-21-17-18-22(19-25(21)28-20(2)27)29-30(26(3,4)5,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h6-19H,1H2,2-5H3
ULRMFAQQEIQDAO-UHFFFAOYSA-N
CSID:8939724, http://www.chemspider.com/Chemical-Structure.8939724.html (accessed 02:07, Jul 4, 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) = 8.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 473.12 (Adapted Stein & Brown method) Melting Pt (deg C): 187.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.6E-009 (Modified Grain method) Subcooled liquid VP: 1.3E-007 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): 0.0002684 log Kow used: 8.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00074257 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.28E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.310E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.14 (KowWin est) Log Kaw used: -4.873 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.013 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7956 Biowin2 (Non-Linear Model) : 0.9547 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2507 (weeks-months) Biowin4 (Primary Survey Model) : 3.3320 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0112 Biowin6 (MITI Non-Linear Model): 0.0072 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6694 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): 1.73E-005 Pa (1.3E-007 mm Hg) Log Koa (Koawin est ): 13.013 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.173 Octanol/air (Koa) model: 2.53 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.862 Mackay model : 0.933 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 51.5944 E-12 cm3/molecule-sec Half-Life = 0.207 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.488 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 0.897 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.03E+006 Log Koc: 6.905 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.845E+000 L/mol-sec Kb Half-Life at pH 8: 4.349 days Kb Half-Life at pH 7: 43.489 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.244 (BCF = 1755) log Kow used: 8.14 (estimated) Volatilization from Water: Henry LC: 3.28E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3645 hours (151.9 days) Half-Life from Model Lake : 3.994E+004 hours (1664 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.0451 3.61 1000 Water 1.87 900 1000 Soil 29.9 1.8e+003 1000 Sediment 68.2 8.1e+003 0 Persistence Time: 3.21e+003 hr
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