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- Double-bond stereo
Trimethylsilyl (2E)-3-{4-[(trimethylsilyl)oxy]phenyl}acrylate
C[Si](C)(C)Oc1ccc(cc1)/C=C/C(=O)O[Si](C)(C)C
InChI=1S/C15H24O3Si2/c1-19(2,3)17-14-10-7-13(8-11-14)9-12-15(16)18-20(4,5)6/h7-12H,1-6H3/b12-9+
RKLSIGFDXPECDB-FMIVXFBMSA-N
CSID:4518465, http://www.chemspider.com/Chemical-Structure.4518465.html (accessed 15:00, Apr 26, 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) = 5.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 327.19 (Adapted Stein & Brown method) Melting Pt (deg C): 79.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000137 (Modified Grain method) Subcooled liquid VP: 0.000455 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): 0.08438 log Kow used: 5.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 27.042 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.63E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.591E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.99 (KowWin est) Log Kaw used: -2.452 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.442 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6007 Biowin2 (Non-Linear Model) : 0.2022 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5174 (weeks-months) Biowin4 (Primary Survey Model) : 3.4026 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1580 Biowin6 (MITI Non-Linear Model): 0.0032 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1701 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): 0.0607 Pa (0.000455 mm Hg) Log Koa (Koawin est ): 8.442 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.95E-005 Octanol/air (Koa) model: 6.79E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00178 Mackay model : 0.00394 Octanol/air (Koa) model: 0.0054 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.8548 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 43.5148 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 3.142 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 2.950 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): 0.00286 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.721E+004 Log Koc: 4.236 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.910 (BCF = 8130) log Kow used: 5.99 (estimated) Volatilization from Water: Henry LC: 8.63E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 13.71 hours Half-Life from Model Lake : 296.8 hours (12.37 days) Removal In Wastewater Treatment: Total removal: 92.13 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.27 percent Total to Air: 0.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.11 5.07 1000 Water 3.98 900 1000 Soil 38.1 1.8e+003 1000 Sediment 57.8 8.1e+003 0 Persistence Time: 2.27e+003 hr
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