Try beta.chemspider
Trimethylsilyl 3-[(trimethylsilyl)oxy]butanoate
CC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChI=1S/C10H24O3Si2/c1-9(12-14(2,3)4)8-10(11)13-15(5,6)7/h9H,8H2,1-7H3
YWRIHOYCAHATJN-UHFFFAOYSA-N
CSID:454970, http://www.chemspider.com/Chemical-Structure.454970.html (accessed 08:50, Apr 23, 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) = 4.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 211.58 (Adapted Stein & Brown method) Melting Pt (deg C): -6.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.201 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8.137 log Kow used: 4.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15150 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 : 1.27E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.076E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.07 (KowWin est) Log Kaw used: -1.285 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.355 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6293 Biowin2 (Non-Linear Model) : 0.3729 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6501 (weeks-months) Biowin4 (Primary Survey Model) : 3.4893 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0254 Biowin6 (MITI Non-Linear Model): 0.0150 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1392 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): 24.8 Pa (0.186 mm Hg) Log Koa (Koawin est ): 5.355 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.21E-007 Octanol/air (Koa) model: 5.56E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.37E-006 Mackay model : 9.68E-006 Octanol/air (Koa) model: 4.45E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.9768 E-12 cm3/molecule-sec Half-Life = 0.669 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.034 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.02E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 753.2 Log Koc: 2.877 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 = 2.430 (BCF = 269.4) log Kow used: 4.07 (estimated) Volatilization from Water: Henry LC: 0.00127 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.335 hours Half-Life from Model Lake : 157.6 hours (6.569 days) Removal In Wastewater Treatment: Total removal: 52.89 percent Total biodegradation: 0.26 percent Total sludge adsorption: 28.86 percent Total to Air: 23.77 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.15 16.1 1000 Water 9.7 900 1000 Soil 86.4 1.8e+003 1000 Sediment 2.7 8.1e+003 0 Persistence Time: 892 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight