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Dimethyl(2-methyl-2-propanyl)silyl N-[dimethyl(2-methyl-2-propanyl)silyl]glycinate
CC(C)(C)[Si](C)(C)NCC(=O)O[Si](C)(C)C(C)(C)C
InChI=1S/C14H33NO2Si2/c1-13(2,3)18(7,8)15-11-12(16)17-19(9,10)14(4,5)6/h15H,11H2,1-10H3
KWGCEVDISSEKES-UHFFFAOYSA-N
CSID:460209, http://www.chemspider.com/Chemical-Structure.460209.html (accessed 06:34, Apr 26, 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) = 5.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 272.82 (Adapted Stein & Brown method) Melting Pt (deg C): 58.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00396 (Modified Grain method) Subcooled liquid VP: 0.00816 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): 0.3753 log Kow used: 5.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14.241 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Silanes (alkoxy) Silamines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.86E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.215E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.26 (KowWin est) Log Kaw used: -2.119 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.379 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2352 Biowin2 (Non-Linear Model) : 0.0086 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1040 (months ) Biowin4 (Primary Survey Model) : 3.1028 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0023 Biowin6 (MITI Non-Linear Model): 0.0080 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6021 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): 1.09 Pa (0.00816 mm Hg) Log Koa (Koawin est ): 7.379 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.76E-006 Octanol/air (Koa) model: 5.87E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.96E-005 Mackay model : 0.000221 Octanol/air (Koa) model: 0.00047 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.2948 E-12 cm3/molecule-sec Half-Life = 2.490 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.885 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00016 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4043 Log Koc: 3.607 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 = 3.352 (BCF = 2248) log Kow used: 5.26 (estimated) Volatilization from Water: Henry LC: 0.000186 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.263 hours Half-Life from Model Lake : 225.3 hours (9.389 days) Removal In Wastewater Treatment: Total removal: 84.69 percent Total biodegradation: 0.71 percent Total sludge adsorption: 83.06 percent Total to Air: 0.91 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.949 59.8 1000 Water 5.54 1.44e+003 1000 Soil 64.1 2.88e+003 1000 Sediment 29.4 1.3e+004 0 Persistence Time: 2.16e+003 hr
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