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- Double-bond stereo
Trimethyl[(3E)-4-phenyl-3-buten-1-yl]silane
C[Si](C)(C)CC/C=C/c1ccccc1
InChI=1S/C13H20Si/c1-14(2,3)12-8-7-11-13-9-5-4-6-10-13/h4-7,9-11H,8,12H2,1-3H3/b11-7+
ZVCCRJYTBSOWGI-YRNVUSSQSA-N
CSID:9085914, http://www.chemspider.com/Chemical-Structure.9085914.html (accessed 08:01, Jul 27, 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) = 5.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 252.66 (Adapted Stein & Brown method) Melting Pt (deg C): 13.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0236 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5805 log Kow used: 5.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.015429 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.73E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.093E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.68 (KowWin est) Log Kaw used: -0.150 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.830 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7783 Biowin2 (Non-Linear Model) : 0.8705 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7695 (weeks ) Biowin4 (Primary Survey Model) : 3.5577 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2576 Biowin6 (MITI Non-Linear Model): 0.1419 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2433 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): 3.09 Pa (0.0232 mm Hg) Log Koa (Koawin est ): 5.830 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.7E-007 Octanol/air (Koa) model: 1.66E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.5E-005 Mackay model : 7.76E-005 Octanol/air (Koa) model: 1.33E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 61.0945 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 68.6945 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 2.101 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.868 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 6.825000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec [Trans-] Half-Life = 4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 5.63E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.322E+004 Log Koc: 4.121 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 = 3.677 (BCF = 4756) log Kow used: 5.68 (estimated) Volatilization from Water: Henry LC: 0.0173 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.507 hours Half-Life from Model Lake : 136.3 hours (5.68 days) Removal In Wastewater Treatment: Total removal: 93.90 percent Total biodegradation: 0.53 percent Total sludge adsorption: 77.05 percent Total to Air: 16.31 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.197 2.06 1000 Water 8.79 360 1000 Soil 52.3 720 1000 Sediment 38.7 3.24e+003 0 Persistence Time: 652 hr
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