Try beta.chemspider
Dimethyl(2-methyl-2-propanyl)silyl trifluoromethanesulfonate
CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
InChI=1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3
WLLIXJBWWFGEHT-UHFFFAOYSA-N
CSID:110158, http://www.chemspider.com/Chemical-Structure.110158.html (accessed 22:15, Apr 28, 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) = 5.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 232.25 (Adapted Stein & Brown method) Melting Pt (deg C): 42.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0461 (Modified Grain method) Subcooled liquid VP: 0.0658 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): 0.306 log Kow used: 5.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 91.628 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.39E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.240E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.63 (KowWin est) Log Kaw used: -1.245 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.875 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0826 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8899 (months ) Biowin4 (Primary Survey Model) : 3.0385 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0475 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1040 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): 8.77 Pa (0.0658 mm Hg) Log Koa (Koawin est ): 6.875 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.42E-007 Octanol/air (Koa) model: 1.84E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.24E-005 Mackay model : 2.74E-005 Octanol/air (Koa) model: 0.000147 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.8010 E-12 cm3/molecule-sec Half-Life = 13.353 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.99E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1057 Log Koc: 3.024 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 = 3.635 (BCF = 4317) log Kow used: 5.63 (estimated) Volatilization from Water: Henry LC: 0.00139 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.344 hours Half-Life from Model Lake : 161.9 hours (6.746 days) Removal In Wastewater Treatment: Total removal: 90.28 percent Total biodegradation: 0.72 percent Total sludge adsorption: 87.15 percent Total to Air: 2.41 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.6 320 1000 Water 3.51 1.44e+003 1000 Soil 56.7 2.88e+003 1000 Sediment 38.2 1.3e+004 0 Persistence Time: 2.44e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight