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- Double-bond stereo
Methyl 2-{(Z)-imino[(trimethylsilyl)oxy]methyl}butanoate
[H]/N=C(/C(CC)C(=O)OC)\O[Si](C)(C)C
InChI=1S/C9H19NO3Si/c1-6-7(9(11)12-2)8(10)13-14(3,4)5/h7,10H,6H2,1-5H3/b10-8-
VXAFHFGQWOTKAB-NTMALXAHSA-N
CSID:486973, http://www.chemspider.com/Chemical-Structure.486973.html (accessed 04:58, Apr 27, 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) = 3.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 255.00 (Adapted Stein & Brown method) Melting Pt (deg C): 39.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0151 (Modified Grain method) Subcooled liquid VP: 0.0206 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): 58.21 log Kow used: 3.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5166.2 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 : 2.70E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.418E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.26 (KowWin est) Log Kaw used: -3.957 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.217 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8183 Biowin2 (Non-Linear Model) : 0.9820 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8591 (weeks ) Biowin4 (Primary Survey Model) : 3.7631 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4101 Biowin6 (MITI Non-Linear Model): 0.2941 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4702 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): 2.75 Pa (0.0206 mm Hg) Log Koa (Koawin est ): 7.217 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.09E-006 Octanol/air (Koa) model: 4.05E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.94E-005 Mackay model : 8.74E-005 Octanol/air (Koa) model: 0.000324 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.5715 E-12 cm3/molecule-sec Half-Life = 2.340 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.076 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.34E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 469.7 Log Koc: 2.672 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.440E-005 L/mol-sec Kb Half-Life at pH 8: 638.399 years Kb Half-Life at pH 7: 6383.988 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.812 (BCF = 64.85) log Kow used: 3.26 (estimated) Volatilization from Water: Henry LC: 2.7E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 321.2 hours (13.38 days) Half-Life from Model Lake : 3627 hours (151.1 days) Removal In Wastewater Treatment: Total removal: 8.75 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.46 percent Total to Air: 0.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.9 56.2 1000 Water 24 360 1000 Soil 72.4 720 1000 Sediment 0.66 3.24e+003 0 Persistence Time: 488 hr
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