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1,1,1,5,5,5-Hexamethyl-3-propyl-3-[(trimethylsilyl)oxy]trisiloxane
O([Si](C)(C)C)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)CCC
InChI=1S/C12H34O3Si4/c1-11-12-19(13-16(2,3)4,14-17(5,6)7)15-18(8,9)10/h11-12H2,1-10H3
SVTUWEUXLNHYPF-UHFFFAOYSA-N
CSID:9500189, http://www.chemspider.com/Chemical-Structure.9500189.html (accessed 17:28, May 16, 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) = 6.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 224.08 (Adapted Stein & Brown method) Melting Pt (deg C): -13.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.106 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0002422 log Kow used: 6.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0002468 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.951E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.92 (KowWin est) Log Kaw used: 1.616 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.304 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5863 Biowin2 (Non-Linear Model) : 0.1417 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4506 (weeks-months) Biowin4 (Primary Survey Model) : 3.3590 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1927 Biowin6 (MITI Non-Linear Model): 0.0020 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0923 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): 13.3 Pa (0.0994 mm Hg) Log Koa (Koawin est ): 5.304 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.26E-007 Octanol/air (Koa) model: 4.94E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.18E-006 Mackay model : 1.81E-005 Octanol/air (Koa) model: 3.95E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.9262 E-12 cm3/molecule-sec Half-Life = 2.724 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 32.691 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.31E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.418E+004 Log Koc: 4.974 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 = 4.625 (BCF = 4.214e+004) log Kow used: 6.92 (estimated) Volatilization from Water: Henry LC: 1.01 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.879 hours Half-Life from Model Lake : 174.8 hours (7.284 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.09 percent Total biodegradation: 0.36 percent Total sludge adsorption: 69.99 percent Total to Air: 27.74 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.696 65.4 1000 Water 2.22 900 1000 Soil 27.8 1.8e+003 1000 Sediment 69.3 8.1e+003 0 Persistence Time: 2.76e+003 hr
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