4-[(Trimethylsilyl)oxy]pyridine
C[Si](C)(C)Oc1ccncc1
InChI=1S/C8H13NOSi/c1-11(2,3)10-8-4-6-9-7-5-8/h4-7H,1-3H3
LEMXOCROJQSQFD-UHFFFAOYSA-N
CSID:13957350, http://www.chemspider.com/Chemical-Structure.13957350.html (accessed 16:53, Nov 28, 2023)
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) = 2.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 200.50 (Adapted Stein & Brown method) Melting Pt (deg C): 19.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.352 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 338.8 log Kow used: 2.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 56099 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.83E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.287E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.66 (KowWin est) Log Kaw used: -3.495 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.155 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5133 Biowin2 (Non-Linear Model) : 0.2680 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6153 (weeks-months) Biowin4 (Primary Survey Model) : 3.5876 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2151 Biowin6 (MITI Non-Linear Model): 0.0976 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8567 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): 42.9 Pa (0.322 mm Hg) Log Koa (Koawin est ): 6.155 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.99E-008 Octanol/air (Koa) model: 3.51E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.52E-006 Mackay model : 5.59E-006 Octanol/air (Koa) model: 2.81E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.5294 E-12 cm3/molecule-sec Half-Life = 2.361 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.338 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.06E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 420.4 Log Koc: 2.624 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 = 1.348 (BCF = 22.29) log Kow used: 2.66 (estimated) Volatilization from Water: Henry LC: 7.83E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 98.03 hours (4.085 days) Half-Life from Model Lake : 1178 hours (49.08 days) Removal In Wastewater Treatment: Total removal: 4.06 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.53 percent Total to Air: 0.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.62 56.7 1000 Water 21.2 900 1000 Soil 76.9 1.8e+003 1000 Sediment 0.236 8.1e+003 0 Persistence Time: 969 hr
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