Triethoxy[3-(2-oxiranylmethoxy)propyl]silane
CCO[Si](CCCOCC1CO1)(OCC)OCC
InChI=1S/C12H26O5Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12/h12H,4-11H2,1-3H3
JXUKBNICSRJFAP-UHFFFAOYSA-N
CSID:92914, http://www.chemspider.com/Chemical-Structure.92914.html (accessed 00:49, Apr 20, 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) = 0.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 301.17 (Adapted Stein & Brown method) Melting Pt (deg C): 77.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000579 (Modified Grain method) Subcooled liquid VP: 0.00183 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): 5460 log Kow used: 0.56 (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: Epoxides Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.07E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.885E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.56 (KowWin est) Log Kaw used: -6.431 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.991 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0797 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5666 (weeks-months) Biowin4 (Primary Survey Model) : 3.4266 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2661 Biowin6 (MITI Non-Linear Model): 0.0721 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1842 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): 0.244 Pa (0.00183 mm Hg) Log Koa (Koawin est ): 6.991 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.23E-005 Octanol/air (Koa) model: 2.4E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000444 Mackay model : 0.000983 Octanol/air (Koa) model: 0.000192 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.3186 E-12 cm3/molecule-sec Half-Life = 0.279 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.350 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000713 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 566 Log Koc: 2.753 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 3.545E-003 L/mol-sec Ka Half-Life at pH 7: 61.947 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.56 (estimated) Volatilization from Water: Henry LC: 9.07E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.077E+005 hours (4488 days) Half-Life from Model Lake : 1.175E+006 hours (4.897E+004 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.101 6.7 1000 Water 45.6 900 1000 Soil 54.2 1.8e+003 1000 Sediment 0.0907 8.1e+003 0 Persistence Time: 884 hr
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