Trimethylsilyl {2,5-bis[(trimethylsilyl)oxy]phenyl}acetate
C[Si](C)(C)Oc1ccc(c(c1)CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChI=1S/C17H32O4Si3/c1-22(2,3)19-15-10-11-16(20-23(4,5)6)14(12-15)13-17(18)21-24(7,8)9/h10-12H,13H2,1-9H3
NLTJSNRUCPSKFR-UHFFFAOYSA-N
CSID:455002, http://www.chemspider.com/Chemical-Structure.455002.html (accessed 08:18, Mar 29, 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) = 7.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 351.61 (Adapted Stein & Brown method) Melting Pt (deg C): 105.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.97E-005 (Modified Grain method) Subcooled liquid VP: 0.000121 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): 0.001314 log Kow used: 7.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.6249 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.28E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.589E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.57 (KowWin est) Log Kaw used: -1.873 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.443 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6191 Biowin2 (Non-Linear Model) : 0.1327 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2742 (weeks-months) Biowin4 (Primary Survey Model) : 3.2242 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4597 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2881 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): 0.0161 Pa (0.000121 mm Hg) Log Koa (Koawin est ): 9.443 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000186 Octanol/air (Koa) model: 0.000681 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00667 Mackay model : 0.0147 Octanol/air (Koa) model: 0.0516 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 32.4891 E-12 cm3/molecule-sec Half-Life = 0.329 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.951 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0107 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.213E+005 Log Koc: 5.084 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 = 4.034 (BCF = 1.081e+004) log Kow used: 7.57 (estimated) Volatilization from Water: Henry LC: 0.000328 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.503 hours Half-Life from Model Lake : 224.5 hours (9.354 days) Removal In Wastewater Treatment: Total removal: 93.99 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.20 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.112 7.9 1000 Water 1.97 900 1000 Soil 28.4 1.8e+003 1000 Sediment 69.6 8.1e+003 0 Persistence Time: 3.06e+003 hr
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