(Benzyloxy)(dimethyl)phenylsilane
O(Cc1ccccc1)[Si](c2ccccc2)(C)C CopyCopied
InChI=1S/C15H18OSi/c1-17(2,15-11-7-4-8-12-15)16-13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3 CopyCopied
UIMGBEDPLZAWPY-UHFFFAOYSA-N CopyCopied
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 314.62 (Adapted Stein & Brown method) Melting Pt (deg C): 69.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000343 (Modified Grain method) Subcooled liquid VP: 0.000895 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): 2.216 log Kow used: 4.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19.509 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.05E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.937E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.77 (KowWin est) Log Kaw used: -2.483 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.253 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8883 Biowin2 (Non-Linear Model) : 0.9595 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7075 (weeks-months) Biowin4 (Primary Survey Model) : 3.5078 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0183 Biowin6 (MITI Non-Linear Model): 0.0337 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1517 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): 0.119 Pa (0.000895 mm Hg) Log Koa (Koawin est ): 7.253 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.51E-005 Octanol/air (Koa) model: 4.4E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000907 Mackay model : 0.00201 Octanol/air (Koa) model: 0.000352 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.7915 E-12 cm3/molecule-sec Half-Life = 0.836 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.034 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00146 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.435E+004 Log Koc: 4.975 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 = 2.970 (BCF = 933) log Kow used: 4.77 (estimated) Volatilization from Water: Henry LC: 8.05E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 12.91 hours Half-Life from Model Lake : 271.4 hours (11.31 days) Removal In Wastewater Treatment: Total removal: 69.67 percent Total biodegradation: 0.61 percent Total sludge adsorption: 67.96 percent Total to Air: 1.11 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.771 20.1 1000 Water 11.3 900 1000 Soil 72.5 1.8e+003 1000 Sediment 15.5 8.1e+003 0 Persistence Time: 1.19e+003 hr
Click to predict properties on the Chemicalize site