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[(4-Methoxybenzyl)oxy](dimethyl)[(trimethylsilyl)methyl]silane
COc1ccc(cc1)CO[Si](C)(C)C[Si](C)(C)C
InChI=1S/C14H26O2Si2/c1-15-14-9-7-13(8-10-14)11-16-18(5,6)12-17(2,3)4/h7-10H,11-12H2,1-6H3
PNERUGKMCUGKHI-UHFFFAOYSA-N
CSID:502502, http://www.chemspider.com/Chemical-Structure.502502.html (accessed 03:39, Apr 30, 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) = 5.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 291.73 (Adapted Stein & Brown method) Melting Pt (deg C): 56.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00156 (Modified Grain method) Subcooled liquid VP: 0.00302 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): 0.3015 log Kow used: 5.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.23058 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.32E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.923E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.52 (KowWin est) Log Kaw used: -2.023 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.543 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7449 Biowin2 (Non-Linear Model) : 0.7764 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5167 (weeks-months) Biowin4 (Primary Survey Model) : 3.5172 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0959 Biowin6 (MITI Non-Linear Model): 0.0321 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1736 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): 0.403 Pa (0.00302 mm Hg) Log Koa (Koawin est ): 7.543 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.45E-006 Octanol/air (Koa) model: 8.57E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000269 Mackay model : 0.000596 Octanol/air (Koa) model: 0.000685 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.6039 E-12 cm3/molecule-sec Half-Life = 0.309 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.709 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000432 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.237E+004 Log Koc: 4.350 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 = 3.548 (BCF = 3529) log Kow used: 5.52 (estimated) Volatilization from Water: Henry LC: 0.000232 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.957 hours Half-Life from Model Lake : 205.9 hours (8.58 days) Removal In Wastewater Treatment: Total removal: 88.69 percent Total biodegradation: 0.74 percent Total sludge adsorption: 87.31 percent Total to Air: 0.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.258 7.42 1000 Water 6.01 900 1000 Soil 53.9 1.8e+003 1000 Sediment 39.9 8.1e+003 0 Persistence Time: 1.61e+003 hr
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