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2-Methyl-2-propanyl (2-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}ethyl)2-propyn-1-ylcarbamate
O=C(OC(C)(C)C)N(CC#C)CCO[Si](C)(C(C)(C)C)C
InChI=1S/C16H31NO3Si/c1-10-11-17(14(18)20-15(2,3)4)12-13-19-21(8,9)16(5,6)7/h1H,11-13H2,2-9H3
ISWDXDCNLRKHQM-UHFFFAOYSA-N
CSID:9499420, http://www.chemspider.com/Chemical-Structure.9499420.html (accessed 01:48, Jul 4, 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) = 4.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 315.66 (Adapted Stein & Brown method) Melting Pt (deg C): 91.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000194 (Modified Grain method) Subcooled liquid VP: 0.000846 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): 0.8133 log Kow used: 4.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 100.4 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 : 6.65E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.840E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.80 (KowWin est) Log Kaw used: -5.566 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.366 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3100 Biowin2 (Non-Linear Model) : 0.0202 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0354 (months ) Biowin4 (Primary Survey Model) : 3.2822 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0227 Biowin6 (MITI Non-Linear Model): 0.0205 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3910 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): 0.113 Pa (0.000846 mm Hg) Log Koa (Koawin est ): 10.366 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.66E-005 Octanol/air (Koa) model: 0.0057 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00096 Mackay model : 0.00212 Octanol/air (Koa) model: 0.313 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.5332 E-12 cm3/molecule-sec Half-Life = 0.216 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.591 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec Half-Life = 382.000 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.00154 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.972E+004 Log Koc: 4.295 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.961E-017 L/mol-sec Kb Half-Life at pH 8: 2.205E+014 years Kb Half-Life at pH 7: 2.205E+015 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.996 (BCF = 991.7) log Kow used: 4.80 (estimated) Volatilization from Water: Henry LC: 6.65E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.559E+004 hours (649.6 days) Half-Life from Model Lake : 1.702E+005 hours (7093 days) Removal In Wastewater Treatment: Total removal: 70.37 percent Total biodegradation: 0.63 percent Total sludge adsorption: 69.74 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0803 5.18 1000 Water 9.26 1.44e+003 1000 Soil 72.5 2.88e+003 1000 Sediment 18.1 1.3e+004 0 Persistence Time: 2.27e+003 hr
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