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- Double-bond stereo
Trimethylsilyl (Z)-N-{(4-methoxyphenyl)[(trimethylsilyl)oxy]methylene}glycinate
COc1ccc(cc1)/C(=N/CC(=O)O[Si](C)(C)C)/O[Si](C)(C)C
InChI=1S/C16H27NO4Si2/c1-19-14-10-8-13(9-11-14)16(21-23(5,6)7)17-12-15(18)20-22(2,3)4/h8-11H,12H2,1-7H3/b17-16-
NXIWRJOFVJVVCY-MSUUIHNZSA-N
CSID:461839, http://www.chemspider.com/Chemical-Structure.461839.html (accessed 13:08, Apr 29, 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) = 5.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 361.90 (Adapted Stein & Brown method) Melting Pt (deg C): 100.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.26E-005 (Modified Grain method) Subcooled liquid VP: 6.88E-005 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): 0.04673 log Kow used: 5.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 38.467 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.54E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.254E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.97 (KowWin est) Log Kaw used: -3.731 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.701 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7111 Biowin2 (Non-Linear Model) : 0.5588 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3597 (weeks-months) Biowin4 (Primary Survey Model) : 3.4147 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0593 Biowin6 (MITI Non-Linear Model): 0.0049 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1014 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): 0.00917 Pa (6.88E-005 mm Hg) Log Koa (Koawin est ): 9.701 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000327 Octanol/air (Koa) model: 0.00123 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0117 Mackay model : 0.0255 Octanol/air (Koa) model: 0.0898 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.8144 E-12 cm3/molecule-sec Half-Life = 0.385 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.615 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0186 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.306E+004 Log Koc: 4.363 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 = 3.899 (BCF = 7929) log Kow used: 5.97 (estimated) Volatilization from Water: Henry LC: 4.54E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 244.4 hours (10.18 days) Half-Life from Model Lake : 2824 hours (117.7 days) Removal In Wastewater Treatment: Total removal: 92.02 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.25 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.16 9.23 1000 Water 4.22 900 1000 Soil 36.1 1.8e+003 1000 Sediment 59.5 8.1e+003 0 Persistence Time: 2.42e+003 hr
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