2,2,4,8,8-Pentamethyl-5-[(trimethylsilyl)oxy]-3,7-dioxa-2,8-disilanonane
CC(C(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI=1S/C13H34O3Si3/c1-12(15-18(5,6)7)13(16-19(8,9)10)11-14-17(2,3)4/h12-13H,11H2,1-10H3
YXTPRNAJOICBLA-UHFFFAOYSA-N
CSID:480880, http://www.chemspider.com/Chemical-Structure.480880.html (accessed 08:36, Mar 29, 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) = 5.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 239.75 (Adapted Stein & Brown method) Melting Pt (deg C): -0.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0469 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.3363 log Kow used: 5.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 59565 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.83E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.921E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.19 (KowWin est) Log Kaw used: -1.126 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.316 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5939 Biowin2 (Non-Linear Model) : 0.1718 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4861 (weeks-months) Biowin4 (Primary Survey Model) : 3.3822 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2956 Biowin6 (MITI Non-Linear Model): 0.0017 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2653 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): 5.99 Pa (0.0449 mm Hg) Log Koa (Koawin est ): 6.316 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.01E-007 Octanol/air (Koa) model: 5.08E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.81E-005 Mackay model : 4.01E-005 Octanol/air (Koa) model: 4.07E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.9810 E-12 cm3/molecule-sec Half-Life = 0.261 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.132 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.91E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.582E+004 Log Koc: 4.981 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 = 3.293 (BCF = 1965) log Kow used: 5.19 (estimated) Volatilization from Water: Henry LC: 0.00183 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.408 hours Half-Life from Model Lake : 176.9 hours (7.37 days) Removal In Wastewater Treatment: Total removal: 85.43 percent Total biodegradation: 0.63 percent Total sludge adsorption: 77.53 percent Total to Air: 7.28 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.34 6.26 1000 Water 6.64 900 1000 Soil 70.2 1.8e+003 1000 Sediment 22.8 8.1e+003 0 Persistence Time: 1.22e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight