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Tributoxy(methyl)silane
CCCCO[Si](C)(OCCCC)OCCCC
InChI=1S/C13H30O3Si/c1-5-8-11-14-17(4,15-12-9-6-2)16-13-10-7-3/h5-13H2,1-4H3
GYZQBXUDWTVJDF-UHFFFAOYSA-N
CSID:71994, http://www.chemspider.com/Chemical-Structure.71994.html (accessed 03:58, Jun 1, 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) = 3.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 278.57 (Adapted Stein & Brown method) Melting Pt (deg C): 43.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00412 (Modified Grain method) Subcooled liquid VP: 0.00604 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): 12.68 log Kow used: 3.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2365 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.11E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.122E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.75 (KowWin est) Log Kaw used: -1.343 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.093 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9479 Biowin2 (Non-Linear Model) : 0.9919 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5142 (days-weeks ) Biowin4 (Primary Survey Model) : 4.2763 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3777 Biowin6 (MITI Non-Linear Model): 0.2482 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2015 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): 0.805 Pa (0.00604 mm Hg) Log Koa (Koawin est ): 5.093 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.73E-006 Octanol/air (Koa) model: 3.04E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000135 Mackay model : 0.000298 Octanol/air (Koa) model: 2.43E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.1839 E-12 cm3/molecule-sec Half-Life = 0.288 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.452 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000216 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.418E+004 Log Koc: 4.974 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 = 2.186 (BCF = 153.5) log Kow used: 3.75 (estimated) Volatilization from Water: Henry LC: 0.00111 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.508 hours Half-Life from Model Lake : 163.2 hours (6.8 days) Removal In Wastewater Treatment: Total removal: 43.22 percent Total biodegradation: 0.18 percent Total sludge adsorption: 17.24 percent Total to Air: 25.79 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.65 6.9 1000 Water 21 208 1000 Soil 76.3 416 1000 Sediment 1.03 1.87e+003 0 Persistence Time: 249 hr
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