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1,1,1-Trimethyl-N-(trimethylsilyl)-N-(2-{1-(trimethylsilyl)-5-[(trimethylsilyl)oxy]-1H-indol-3-yl}ethyl)silanamine
C[Si](C)(C)n1cc(c2c1ccc(c2)O[Si](C)(C)C)CCN([Si](C)(C)C)[Si](C)(C)C
InChI=1S/C22H44N2OSi4/c1-26(2,3)23-18-19(15-16-24(27(4,5)6)28(7,8)9)21-17-20(13-14-22(21)23)25-29(10,11)12/h13-14,17-18H,15-16H2,1-12H3
KWVBUSCZQIKEBD-UHFFFAOYSA-N
CSID:521476, http://www.chemspider.com/Chemical-Structure.521476.html (accessed 21:31, 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) = 9.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 408.80 (Adapted Stein & Brown method) Melting Pt (deg C): 149.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.74E-007 (Modified Grain method) Subcooled liquid VP: 5.08E-006 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): 1.462e-005 log Kow used: 9.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5284e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silamines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.147E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5809 Biowin2 (Non-Linear Model) : 0.0467 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0968 (months ) Biowin4 (Primary Survey Model) : 3.1084 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6396 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5963 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): 0.000677 Pa (5.08E-006 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00443 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.138 Mackay model : 0.262 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 213.6281 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.601 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.2 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.265E+007 Log Koc: 7.355 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 = 1.705 (BCF = 50.65) log Kow used: 9.27 (estimated) Volatilization from Water: Henry LC: 0.0115 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 2.31 hours Half-Life from Model Lake : 206 hours (8.584 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.012 1.2 1000 Water 1.39 1.44e+003 1000 Soil 29.8 2.88e+003 1000 Sediment 68.8 1.3e+004 0 Persistence Time: 4.69e+003 hr
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