Trichloro(7-octen-1-yl)silane
C=CCCCCCC[Si](Cl)(Cl)Cl
InChI=1S/C8H15Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2H,1,3-8H2
MFISPHKHJHQREG-UHFFFAOYSA-N
CSID:94002, http://www.chemspider.com/Chemical-Structure.94002.html (accessed 12:20, Apr 18, 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) = 5.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 213.52 (Adapted Stein & Brown method) Melting Pt (deg C): 6.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.183 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.7319 log Kow used: 5.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.021249 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.89E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.082E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.31 (KowWin est) Log Kaw used: 0.072 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.238 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6306 Biowin2 (Non-Linear Model) : 0.3824 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6563 (weeks-months) Biowin4 (Primary Survey Model) : 3.4933 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2964 Biowin6 (MITI Non-Linear Model): 0.1297 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7715 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): 22.5 Pa (0.169 mm Hg) Log Koa (Koawin est ): 5.238 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.33E-007 Octanol/air (Koa) model: 4.25E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.81E-006 Mackay model : 1.07E-005 Octanol/air (Koa) model: 3.4E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.3647 E-12 cm3/molecule-sec Half-Life = 0.311 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.735 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 7.73E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3804 Log Koc: 3.580 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 = 3.388 (BCF = 2441) log Kow used: 5.31 (estimated) Volatilization from Water: Henry LC: 0.0289 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.631 hours Half-Life from Model Lake : 149.2 hours (6.217 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.31 percent Total biodegradation: 0.34 percent Total sludge adsorption: 63.34 percent Total to Air: 31.63 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.351 5.63 1000 Water 6.5 900 1000 Soil 64.6 1.8e+003 1000 Sediment 28.5 8.1e+003 0 Persistence Time: 1.16e+003 hr
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