- Double-bond stereo
(1E)-N-Methoxy-2,3,4-tris[(trimethylsilyl)oxy]-3-{[(trimethylsilyl)oxy]methyl}-1-butanimine
O([Si](C)(C)C)CC(O[Si](C)(C)C)(C(O[Si](C)(C)C)\C=N\OC)CO[Si](C)(C)C
InChI=1S/C18H45NO5Si4/c1-20-19-14-17(23-27(8,9)10)18(24-28(11,12)13,15-21-25(2,3)4)16-22-26(5,6)7/h14,17H,15-16H2,1-13H3/b19-14+
OKWPSPPSKQXZNS-XMHGGMMESA-N
CSID:7875992, http://www.chemspider.com/Chemical-Structure.7875992.html (accessed 17:51, Jun 5, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 344.55 (Adapted Stein & Brown method) Melting Pt (deg C): 61.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.13E-005 (Modified Grain method) Subcooled liquid VP: 0.000178 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): 0.03812 log Kow used: 5.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10221 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 : 1.03E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.313E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.24 (KowWin est) Log Kaw used: -3.376 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.616 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3409 Biowin2 (Non-Linear Model) : 0.0047 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9530 (months ) Biowin4 (Primary Survey Model) : 3.0192 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6094 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8123 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): 0.0237 Pa (0.000178 mm Hg) Log Koa (Koawin est ): 8.616 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000126 Octanol/air (Koa) model: 0.000101 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00454 Mackay model : 0.01 Octanol/air (Koa) model: 0.00805 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 95.0330 E-12 cm3/molecule-sec Half-Life = 0.113 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.351 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00728 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.434E+007 Log Koc: 7.157 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 = 3.338 (BCF = 2178) log Kow used: 5.24 (estimated) Volatilization from Water: Henry LC: 1.03E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 125.2 hours (5.215 days) Half-Life from Model Lake : 1547 hours (64.45 days) Removal In Wastewater Treatment: Total removal: 84.00 percent Total biodegradation: 0.72 percent Total sludge adsorption: 83.22 percent Total to Air: 0.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0536 2.7 1000 Water 7.06 1.44e+003 1000 Soil 56.9 2.88e+003 1000 Sediment 36 1.3e+004 0 Persistence Time: 2.43e+003 hr
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