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Benzyl(dimethyl)silane
C[SiH](C)Cc1ccccc1
InChI=1S/C9H14Si/c1-10(2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
USQQZWZBVGCDBX-UHFFFAOYSA-N
CSID:66813, http://www.chemspider.com/Chemical-Structure.66813.html (accessed 16:29, May 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) = 5.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 131.95 (Adapted Stein & Brown method) Melting Pt (deg C): 20.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.16 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.687 log Kow used: 5.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00044313 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.742E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1242 Biowin2 (Non-Linear Model) : 0.0135 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2307 (months ) Biowin4 (Primary Survey Model) : 3.1706 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4679 Biowin6 (MITI Non-Linear Model): 0.3506 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1666 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): 1.13E+003 Pa (8.47 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.66E-009 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.6E-008 Mackay model : 2.13E-007 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.2958 E-12 cm3/molecule-sec Half-Life = 2.490 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.879 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.54E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1476 Log Koc: 3.169 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 = 3.312 (BCF = 2051) log Kow used: 5.21 (estimated) Volatilization from Water: Henry LC: 0.674 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.252 hours Half-Life from Model Lake : 116.5 hours (4.852 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.72 percent Total biodegradation: 0.16 percent Total sludge adsorption: 52.36 percent Total to Air: 47.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.51 59.8 1000 Water 12 1.44e+003 1000 Soil 25.1 2.88e+003 1000 Sediment 57.4 1.3e+004 0 Persistence Time: 680 hr
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