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(2-Bromo-2-propen-1-yl)(trimethyl)silane
C[Si](C)(C)CC(=C)Br
InChI=1S/C6H13BrSi/c1-6(7)5-8(2,3)4/h1,5H2,2-4H3
LUPQCAARZVEFMT-UHFFFAOYSA-N
CSID:3384489, http://www.chemspider.com/Chemical-Structure.3384489.html (accessed 05:49, May 3, 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) = 3.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 139.80 (Adapted Stein & Brown method) Melting Pt (deg C): -47.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.41 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 19.76 log Kow used: 3.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4331 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.79E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.245E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.96 (KowWin est) Log Kaw used: 0.374 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.586 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6094 Biowin2 (Non-Linear Model) : 0.0151 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8013 (weeks ) Biowin4 (Primary Survey Model) : 3.6044 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2973 Biowin6 (MITI Non-Linear Model): 0.0447 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8354 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): 787 Pa (5.9 mm Hg) Log Koa (Koawin est ): 3.586 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.81E-009 Octanol/air (Koa) model: 9.46E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.38E-007 Mackay model : 3.05E-007 Octanol/air (Koa) model: 7.57E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.8402 E-12 cm3/molecule-sec Half-Life = 0.721 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.649 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.159250 E-17 cm3/molecule-sec Half-Life = 7.196 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 2.21E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 275.5 Log Koc: 2.440 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 = 2.347 (BCF = 222.6) log Kow used: 3.96 (estimated) Volatilization from Water: Henry LC: 0.0579 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.432 hours Half-Life from Model Lake : 132.2 hours (5.507 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.28 percent Total biodegradation: 0.07 percent Total sludge adsorption: 16.66 percent Total to Air: 79.55 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 7.68 15.7 1000 Water 35 360 1000 Soil 53.2 720 1000 Sediment 4.09 3.24e+003 0 Persistence Time: 175 hr
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