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Trimethylsilyl 2-furyl[(trimethylsilyl)oxy]acetate
C[Si](C)(C)OC(c1ccco1)C(=O)O[Si](C)(C)C
InChI=1S/C12H22O4Si2/c1-17(2,3)15-11(10-8-7-9-14-10)12(13)16-18(4,5)6/h7-9,11H,1-6H3
ABEXAFNEJQZGIE-UHFFFAOYSA-N
CSID:519812, http://www.chemspider.com/Chemical-Structure.519812.html (accessed 21:04, May 21, 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) = 4.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 274.12 (Adapted Stein & Brown method) Melting Pt (deg C): 50.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00443 (Modified Grain method) Subcooled liquid VP: 0.00763 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): 4.113 log Kow used: 4.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8312.5 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 : 4.13E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.060E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.16 (KowWin est) Log Kaw used: -1.773 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.933 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6112 Biowin2 (Non-Linear Model) : 0.2574 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5661 (weeks-months) Biowin4 (Primary Survey Model) : 3.4344 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1228 Biowin6 (MITI Non-Linear Model): 0.0067 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1054 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): 1.02 Pa (0.00763 mm Hg) Log Koa (Koawin est ): 5.933 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.95E-006 Octanol/air (Koa) model: 2.1E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000107 Mackay model : 0.000236 Octanol/air (Koa) model: 1.68E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 100.6510 E-12 cm3/molecule-sec Half-Life = 0.106 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.275 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.000171 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5271 Log Koc: 3.722 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 = 2.504 (BCF = 319) log Kow used: 4.16 (estimated) Volatilization from Water: Henry LC: 0.000413 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.127 hours Half-Life from Model Lake : 186.9 hours (7.789 days) Removal In Wastewater Treatment: Total removal: 45.58 percent Total biodegradation: 0.34 percent Total sludge adsorption: 35.45 percent Total to Air: 9.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.182 2.55 1000 Water 10.3 900 1000 Soil 86 1.8e+003 1000 Sediment 3.52 8.1e+003 0 Persistence Time: 971 hr
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