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2,4,6-Trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane
C[Si]1(O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)CCC(F)(F)F
InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3
URZHQOCYXDNFGN-UHFFFAOYSA-N
CSID:67943, http://www.chemspider.com/Chemical-Structure.67943.html (accessed 10:25, May 11, 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) = 8.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 197.99 (Adapted Stein & Brown method) Melting Pt (deg C): 33.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.303 (Modified Grain method) Subcooled liquid VP: 0.364 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): 1.402e-005 log Kow used: 8.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.6854e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.70E+002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.332E+004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.66 (KowWin est) Log Kaw used: 3.842 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.818 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.0368 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.6249 (recalcitrant) Biowin4 (Primary Survey Model) : 2.3485 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2276 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7533 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): 48.5 Pa (0.364 mm Hg) Log Koa (Koawin est ): 4.818 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.18E-008 Octanol/air (Koa) model: 1.61E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.23E-006 Mackay model : 4.95E-006 Octanol/air (Koa) model: 1.29E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.4846 E-12 cm3/molecule-sec Half-Life = 2.385 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.621 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.59E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.365E+006 Log Koc: 6.867 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 = 2.535 (BCF = 342.9) log Kow used: 8.66 (estimated) Volatilization from Water: Henry LC: 170 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.209 hours Half-Life from Model Lake : 205.6 hours (8.567 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.24 percent Total biodegradation: 0.25 percent Total sludge adsorption: 64.11 percent Total to Air: 34.88 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.317 57.2 1000 Water 1.01 4.32e+003 1000 Soil 18.1 8.64e+003 1000 Sediment 80.6 3.89e+004 0 Persistence Time: 7.88e+003 hr
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