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4,6-Bis{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-3,3-dimethyl-2-hexanone
CC(=O)C(C)(C)C(CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI=1S/C20H44O3Si2/c1-16(21)20(8,9)17(23-25(12,13)19(5,6)7)14-15-22-24(10,11)18(2,3)4/h17H,14-15H2,1-13H3
AACGCDKKIYMEBI-UHFFFAOYSA-N
CSID:4261369, http://www.chemspider.com/Chemical-Structure.4261369.html (accessed 12:59, May 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) = 6.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 334.48 (Adapted Stein & Brown method) Melting Pt (deg C): 96.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.21E-005 (Modified Grain method) Subcooled liquid VP: 0.000307 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): 0.005845 log Kow used: 6.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 85.822 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.40E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.434E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.78 (KowWin est) Log Kaw used: -2.656 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.436 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0175 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6813 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8043 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0703 Biowin6 (MITI Non-Linear Model): 0.0035 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7068 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): 0.0409 Pa (0.000307 mm Hg) Log Koa (Koawin est ): 9.436 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.33E-005 Octanol/air (Koa) model: 0.00067 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00264 Mackay model : 0.00583 Octanol/air (Koa) model: 0.0509 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 70.5613 E-12 cm3/molecule-sec Half-Life = 0.152 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.819 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00423 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.244E+005 Log Koc: 5.095 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 = 4.519 (BCF = 3.307e+004) log Kow used: 6.78 (estimated) Volatilization from Water: Henry LC: 5.4E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 23.39 hours Half-Life from Model Lake : 420.5 hours (17.52 days) Removal In Wastewater Treatment: Total removal: 93.72 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.93 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0169 3.64 1000 Water 0.904 4.32e+003 1000 Soil 41.2 8.64e+003 1000 Sediment 57.9 3.89e+004 0 Persistence Time: 1.01e+004 hr
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