Trimethylsilyl [(trimethylsilyl)oxy]acetate
C[Si](C)(C)OCC(=O)O[Si](C)(C)C
InChI=1S/C8H20O3Si2/c1-12(2,3)10-7-8(9)11-13(4,5)6/h7H2,1-6H3
MAEQOWMWOCEXKP-UHFFFAOYSA-N
CSID:105915, http://www.chemspider.com/Chemical-Structure.105915.html (accessed 20:43, Apr 16, 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) = 3.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 183.62 (Adapted Stein & Brown method) Melting Pt (deg C): -18.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.809 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 68.98 log Kow used: 3.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 95097 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.12E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.401E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.16 (KowWin est) Log Kaw used: -0.679 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.839 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6426 Biowin2 (Non-Linear Model) : 0.4697 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7121 (weeks-months) Biowin4 (Primary Survey Model) : 3.5297 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1083 Biowin6 (MITI Non-Linear Model): 0.0359 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3846 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): 98.1 Pa (0.736 mm Hg) Log Koa (Koawin est ): 3.839 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.06E-008 Octanol/air (Koa) model: 1.69E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.1E-006 Mackay model : 2.45E-006 Octanol/air (Koa) model: 1.36E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.6638 E-12 cm3/molecule-sec Half-Life = 4.015 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 48.184 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.77E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 252.1 Log Koc: 2.402 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 = 1.731 (BCF = 53.79) log Kow used: 3.16 (estimated) Volatilization from Water: Henry LC: 0.00512 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.685 hours Half-Life from Model Lake : 142.9 hours (5.953 days) Removal In Wastewater Treatment: Total removal: 68.21 percent Total biodegradation: 0.06 percent Total sludge adsorption: 4.73 percent Total to Air: 63.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 14.7 96.4 1000 Water 26.1 900 1000 Soil 58.4 1.8e+003 1000 Sediment 0.853 8.1e+003 0 Persistence Time: 311 hr
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