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Trimethyl(2-phenyl-2,3-butadien-1-yl)silane
C(=C)=C(\c1ccccc1)C[Si](C)(C)C
InChI=1S/C13H18Si/c1-5-12(11-14(2,3)4)13-9-7-6-8-10-13/h6-10H,1,11H2,2-4H3
MZJUEUVURAZQOZ-UHFFFAOYSA-N
CSID:9151749, http://www.chemspider.com/Chemical-Structure.9151749.html (accessed 07:04, Jun 17, 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) = 5.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 242.51 (Adapted Stein & Brown method) Melting Pt (deg C): 8.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0405 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5634 log Kow used: 5.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.017466 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.30E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.914E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.71 (KowWin est) Log Kaw used: -0.275 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.985 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7793 Biowin2 (Non-Linear Model) : 0.8737 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7740 (weeks ) Biowin4 (Primary Survey Model) : 3.5607 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2142 Biowin6 (MITI Non-Linear Model): 0.1024 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2173 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): 5.2 Pa (0.039 mm Hg) Log Koa (Koawin est ): 5.985 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.77E-007 Octanol/air (Koa) model: 2.37E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.08E-005 Mackay model : 4.62E-005 Octanol/air (Koa) model: 1.9E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.3094 E-12 cm3/molecule-sec Half-Life = 0.177 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.128 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.170000 E-17 cm3/molecule-sec Half-Life = 0.979 Days (at 7E11 mol/cm3) Half-Life = 23.508 Hrs Fraction sorbed to airborne particulates (phi): 3.35E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5224 Log Koc: 3.718 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 = 3.698 (BCF = 4992) log Kow used: 5.71 (estimated) Volatilization from Water: Henry LC: 0.013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.516 hours Half-Life from Model Lake : 135.8 hours (5.659 days) Removal In Wastewater Treatment: Total removal: 93.31 percent Total biodegradation: 0.58 percent Total sludge adsorption: 79.80 percent Total to Air: 12.93 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.327 3.6 1000 Water 8.56 360 1000 Soil 51.4 720 1000 Sediment 39.7 3.24e+003 0 Persistence Time: 667 hr
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