Triethoxy(octyl)silane
CCCCCCCC[Si](OCC)(OCC)OCC
InChI=1S/C14H32O3Si/c1-5-9-10-11-12-13-14-18(15-6-2,16-7-3)17-8-4/h5-14H2,1-4H3
MSRJTTSHWYDFIU-UHFFFAOYSA-N
CSID:68741, http://www.chemspider.com/Chemical-Structure.68741.html (accessed 01:33, 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) = 4.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 294.07 (Adapted Stein & Brown method) Melting Pt (deg C): 53.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00146 (Modified Grain method) Subcooled liquid VP: 0.00267 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): 4.021 log Kow used: 4.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 723.47 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.47E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.321E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.24 (KowWin est) Log Kaw used: -1.221 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.461 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7243 Biowin2 (Non-Linear Model) : 0.7163 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8865 (weeks ) Biowin4 (Primary Survey Model) : 3.7179 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3854 Biowin6 (MITI Non-Linear Model): 0.2528 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4600 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): 0.356 Pa (0.00267 mm Hg) Log Koa (Koawin est ): 5.461 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.43E-006 Octanol/air (Koa) model: 7.1E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000304 Mackay model : 0.000674 Octanol/air (Koa) model: 5.68E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.1652 E-12 cm3/molecule-sec Half-Life = 0.380 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.557 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000489 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.871E+005 Log Koc: 5.272 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 = 1.564 (BCF = 36.67) log Kow used: 4.24 (estimated) Volatilization from Water: Henry LC: 0.00147 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.359 hours Half-Life from Model Lake : 165.2 hours (6.882 days) Removal In Wastewater Treatment: Total removal: 59.62 percent Total biodegradation: 0.31 percent Total sludge adsorption: 36.34 percent Total to Air: 22.96 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.34 9.12 1000 Water 15.7 360 1000 Soil 79.6 720 1000 Sediment 3.37 3.24e+003 0 Persistence Time: 419 hr
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