- Double-bond stereo
(1E)-N-Methoxy-2,3,4-tris[(trimethylsilyl)oxy]-1-butanimine
O([Si](C)(C)C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)\C=N\OC
InChI=1S/C14H35NO4Si3/c1-16-15-11-13(18-21(5,6)7)14(19-22(8,9)10)12-17-20(2,3)4/h11,13-14H,12H2,1-10H3/b15-11+
ALJSKKFUUDIVIZ-RVDMUPIBSA-N
CSID:7876005, http://www.chemspider.com/Chemical-Structure.7876005.html (accessed 06:46, Mar 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) = 3.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 297.07 (Adapted Stein & Brown method) Melting Pt (deg C): 13.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00228 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.933 log Kow used: 3.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15049 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.52E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.741E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.78 (KowWin est) Log Kaw used: -2.842 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.622 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5734 Biowin2 (Non-Linear Model) : 0.1012 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3910 (weeks-months) Biowin4 (Primary Survey Model) : 3.3201 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4743 Biowin6 (MITI Non-Linear Model): 0.0004 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4312 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): 0.304 Pa (0.00228 mm Hg) Log Koa (Koawin est ): 6.622 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.87E-006 Octanol/air (Koa) model: 1.03E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000356 Mackay model : 0.000789 Octanol/air (Koa) model: 8.22E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 46.5722 E-12 cm3/molecule-sec Half-Life = 0.230 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.756 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000573 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.298E+005 Log Koc: 5.799 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 = 2.212 (BCF = 162.9) log Kow used: 3.78 (estimated) Volatilization from Water: Henry LC: 3.52E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 33.76 hours (1.407 days) Half-Life from Model Lake : 528.6 hours (22.03 days) Removal In Wastewater Treatment: Total removal: 22.44 percent Total biodegradation: 0.25 percent Total sludge adsorption: 20.70 percent Total to Air: 1.49 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.274 5.51 1000 Water 15.6 900 1000 Soil 82 1.8e+003 1000 Sediment 2.19 8.1e+003 0 Persistence Time: 1.04e+003 hr
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