2-[Methyl(diphenyl)silyl]ethanol
OCC[Si](c1ccccc1)(c2ccccc2)C CopyCopied
InChI=1S/C15H18OSi/c1-17(13-12-16,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3 CopyCopied
RYVPOJDQPLVTLT-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
2-[Methyl(diphenyl)silyl]ethanol [ACD/IUPAC Name]
254-919-9 [EINECS]
ethanol, 2-(methyldiphenylsilyl)-
(2-Hydroxyethyl)diphenylmethylsilane
2-(diphenylmethylsilyl)ethanol
2-(Methyldiphenylsilyl)ethanol
40438-48-0 [RN]
diphenylmethylsilylethylethanol
366498_ALDRICH [DBID]
43122_FLUKA [DBID]
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) = 4.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 348.65 (Adapted Stein & Brown method) Melting Pt (deg C): 98.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.1E-006 (Modified Grain method) Subcooled liquid VP: 5.7E-006 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): 10.8 log Kow used: 4.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 60.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.07E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.249E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.56 (KowWin est) Log Kaw used: -5.779 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.339 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0471 Biowin2 (Non-Linear Model) : 0.9864 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8675 (weeks ) Biowin4 (Primary Survey Model) : 3.6372 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3336 Biowin6 (MITI Non-Linear Model): 0.1997 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4233 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): 0.00076 Pa (5.7E-006 mm Hg) Log Koa (Koawin est ): 10.339 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00395 Octanol/air (Koa) model: 0.00536 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.125 Mackay model : 0.24 Octanol/air (Koa) model: 0.3 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.4739 E-12 cm3/molecule-sec Half-Life = 1.129 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.548 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.182 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3177 Log Koc: 3.502 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 = 2.160 (BCF = 144.4) log Kow used: 4.56 (estimated) Volatilization from Water: Henry LC: 4.07E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.24E+004 hours (933.3 days) Half-Life from Model Lake : 2.445E+005 hours (1.019E+004 days) Removal In Wastewater Treatment: Total removal: 59.15 percent Total biodegradation: 0.55 percent Total sludge adsorption: 58.60 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.498 27.1 1000 Water 16.5 360 1000 Soil 75.8 720 1000 Sediment 7.2 3.24e+003 0 Persistence Time: 711 hr
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