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Triethyl(2-phenylethoxy)silane
CC[Si](CC)(CC)OCCc1ccccc1
InChI=1S/C14H24OSi/c1-4-16(5-2,6-3)15-13-12-14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3
AAPVZORGFHHGSB-UHFFFAOYSA-N
CSID:530300, http://www.chemspider.com/Chemical-Structure.530300.html (accessed 19:28, Apr 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) = 5.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 281.35 (Adapted Stein & Brown method) Melting Pt (deg C): 40.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00376 (Modified Grain method) Subcooled liquid VP: 0.00522 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): 0.5492 log Kow used: 5.51 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.699 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.06E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.130E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.51 (KowWin est) Log Kaw used: -0.780 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.290 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8177 Biowin2 (Non-Linear Model) : 0.8837 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6238 (weeks-months) Biowin4 (Primary Survey Model) : 3.4430 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1930 Biowin6 (MITI Non-Linear Model): 0.1143 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3206 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): 0.696 Pa (0.00522 mm Hg) Log Koa (Koawin est ): 6.290 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.31E-006 Octanol/air (Koa) model: 4.79E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000156 Mackay model : 0.000345 Octanol/air (Koa) model: 3.83E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.7059 E-12 cm3/molecule-sec Half-Life = 0.572 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.862 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00025 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.62E+004 Log Koc: 4.750 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 = 3.546 (BCF = 3513) log Kow used: 5.51 (estimated) Volatilization from Water: Henry LC: 0.00406 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.791 hours Half-Life from Model Lake : 148.5 hours (6.186 days) Removal In Wastewater Treatment: Total removal: 90.40 percent Total biodegradation: 0.65 percent Total sludge adsorption: 82.11 percent Total to Air: 7.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.559 13.7 1000 Water 5.3 900 1000 Soil 59.6 1.8e+003 1000 Sediment 34.5 8.1e+003 0 Persistence Time: 1.43e+003 hr
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