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- Double-bond stereo
Trimethyl[(2E)-3-phenyl-2-buten-1-yl]silane
C(=C(/c1ccccc1)C)\C[Si](C)(C)C
InChI=1S/C13H20Si/c1-12(10-11-14(2,3)4)13-8-6-5-7-9-13/h5-10H,11H2,1-4H3/b12-10+
JYAACCIGESKZNR-ZRDIBKRKSA-N
CSID:9416205, http://www.chemspider.com/Chemical-Structure.9416205.html (accessed 03:58, 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) = 5.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 247.89 (Adapted Stein & Brown method) Melting Pt (deg C): 4.72 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0305 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5197 log Kow used: 5.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.025357 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.04E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.578E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.74 (KowWin est) Log Kaw used: -0.079 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.819 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) : 0.2024 Biowin6 (MITI Non-Linear Model): 0.0964 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2113 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): 3.95 Pa (0.0296 mm Hg) Log Koa (Koawin est ): 5.819 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.6E-007 Octanol/air (Koa) model: 1.62E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.75E-005 Mackay model : 6.08E-005 Octanol/air (Koa) model: 1.29E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 90.3454 E-12 cm3/molecule-sec Half-Life = 0.118 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.421 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 Min Fraction sorbed to airborne particulates (phi): 4.41E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.185E+004 Log Koc: 4.074 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 = 3.720 (BCF = 5254) log Kow used: 5.74 (estimated) Volatilization from Water: Henry LC: 0.0204 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.5 hours Half-Life from Model Lake : 136.2 hours (5.677 days) Removal In Wastewater Treatment: Total removal: 94.28 percent Total biodegradation: 0.53 percent Total sludge adsorption: 77.20 percent Total to Air: 16.55 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0263 0.28 1000 Water 8.41 360 1000 Soil 50.5 720 1000 Sediment 41 3.24e+003 0 Persistence Time: 675 hr
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