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- Double-bond stereo
Trimethyl[(1E,3E)-4-phenyl-1,3-butadien-1-yl]silane
C(\C=C\c1ccccc1)=C/[Si](C)(C)C
InChI=1S/C13H18Si/c1-14(2,3)12-8-7-11-13-9-5-4-6-10-13/h4-12H,1-3H3/b11-7+,12-8+
WNGGEIGROWRSBP-MKICQXMISA-N
CSID:9944264, http://www.chemspider.com/Chemical-Structure.9944264.html (accessed 07:28, 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) = 5.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 257.96 (Adapted Stein & Brown method) Melting Pt (deg C): 12.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0178 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.9073 log Kow used: 5.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.033797 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.26E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.224E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.47 (KowWin est) Log Kaw used: -0.288 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.758 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) : 0.1772 Biowin6 (MITI Non-Linear Model): 0.0729 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0443 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): 2.36 Pa (0.0177 mm Hg) Log Koa (Koawin est ): 5.758 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.27E-006 Octanol/air (Koa) model: 1.41E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.59E-005 Mackay model : 0.000102 Octanol/air (Koa) model: 1.12E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 144.2820 E-12 cm3/molecule-sec Half-Life = 0.074 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.890 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 9.720000 E-17 cm3/molecule-sec Half-Life = 0.118 Days (at 7E11 mol/cm3) Half-Life = 2.830 Hrs Fraction sorbed to airborne particulates (phi): 7.38E-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 = 3.512 (BCF = 3248) log Kow used: 5.47 (estimated) Volatilization from Water: Henry LC: 0.0126 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.518 hours Half-Life from Model Lake : 135.8 hours (5.66 days) Removal In Wastewater Treatment: Total removal: 92.81 percent Total biodegradation: 0.51 percent Total sludge adsorption: 74.13 percent Total to Air: 18.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.124 1.09 1000 Water 10.2 360 1000 Soil 59.1 720 1000 Sediment 30.6 3.24e+003 0 Persistence Time: 575 hr
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