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1,2-Diphenyl-2-[(trimethylsilyl)oxy]ethanone
C[Si](C)(C)OC(c1ccccc1)C(=O)c2ccccc2
InChI=1S/C17H20O2Si/c1-20(2,3)19-17(15-12-8-5-9-13-15)16(18)14-10-6-4-7-11-14/h4-13,17H,1-3H3
NICBEWDPKDDXRY-UHFFFAOYSA-N
CSID:522945, http://www.chemspider.com/Chemical-Structure.522945.html (accessed 01:46, Jun 17, 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) = 4.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 356.13 (Adapted Stein & Brown method) Melting Pt (deg C): 110.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.37E-005 (Modified Grain method) Subcooled liquid VP: 9.44E-005 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): 3.109 log Kow used: 4.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 111.5 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.23E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.649E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.32 (KowWin est) Log Kaw used: -4.299 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.619 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8751 Biowin2 (Non-Linear Model) : 0.8923 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5922 (weeks-months) Biowin4 (Primary Survey Model) : 3.4249 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0574 Biowin6 (MITI Non-Linear Model): 0.0346 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2794 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): 0.0126 Pa (9.44E-005 mm Hg) Log Koa (Koawin est ): 8.619 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000238 Octanol/air (Koa) model: 0.000102 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00854 Mackay model : 0.0187 Octanol/air (Koa) model: 0.0081 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.7277 E-12 cm3/molecule-sec Half-Life = 0.680 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.161 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0136 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.584E+004 Log Koc: 4.412 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 = 1.784 (BCF = 60.83) log Kow used: 4.32 (estimated) Volatilization from Water: Henry LC: 1.23E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 804.5 hours (33.52 days) Half-Life from Model Lake : 8918 hours (371.6 days) Removal In Wastewater Treatment: Total removal: 46.37 percent Total biodegradation: 0.45 percent Total sludge adsorption: 45.89 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.514 16.3 1000 Water 15.7 900 1000 Soil 76.1 1.8e+003 1000 Sediment 7.77 8.1e+003 0 Persistence Time: 1.18e+003 hr
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