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Tetraacetyl orthosilicate
CC(=O)O[Si](OC(=O)C)(OC(=O)C)OC(=O)C
InChI=1S/C8H12O8Si/c1-5(9)13-17(14-6(2)10,15-7(3)11)16-8(4)12/h1-4H3
YZVRVDPMGYFCGL-UHFFFAOYSA-N
CSID:61702, http://www.chemspider.com/Chemical-Structure.61702.html (accessed 07:34, Apr 25, 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) = -0.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 269.84 (Adapted Stein & Brown method) Melting Pt (deg C): -1.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00139 (Modified Grain method) MP (exp database): 110 deg C BP (exp database): 148 @ 6 mm Hg deg C Subcooled liquid VP: 0.00953 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): 7.857e+004 log Kow used: -0.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 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 : 1.09E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.152E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.70 (KowWin est) Log Kaw used: -6.351 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.651 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6217 Biowin2 (Non-Linear Model) : 0.3222 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6152 (weeks-months) Biowin4 (Primary Survey Model) : 3.4665 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0724 Biowin6 (MITI Non-Linear Model): 0.0065 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5178 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): 1.27 Pa (0.00953 mm Hg) Log Koa (Koawin est ): 5.651 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.36E-006 Octanol/air (Koa) model: 1.1E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.53E-005 Mackay model : 0.000189 Octanol/air (Koa) model: 8.79E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1686 E-12 cm3/molecule-sec Half-Life = 63.425 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000137 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 199.4 Log Koc: 2.300 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 = 0.500 (BCF = 3.162) log Kow used: -0.70 (estimated) Volatilization from Water: Henry LC: 1.09E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.732E+004 hours (3638 days) Half-Life from Model Lake : 9.527E+005 hours (3.97E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.153 1.52e+003 1000 Water 46.5 900 1000 Soil 53.2 1.8e+003 1000 Sediment 0.0895 8.1e+003 0 Persistence Time: 957 hr
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