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Trimethyl(1-phenyl-2-propen-1-yl)silane
c1ccccc1C(\C=C)[Si](C)(C)C
InChI=1S/C12H18Si/c1-5-12(13(2,3)4)11-9-7-6-8-10-11/h5-10,12H,1H2,2-4H3
MQRQMJAUZZDRMI-UHFFFAOYSA-N
CSID:8806918, http://www.chemspider.com/Chemical-Structure.8806918.html (accessed 06:31, Jun 1, 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) = 5.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 216.41 (Adapted Stein & Brown method) Melting Pt (deg C): -8.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.157 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.778 log Kow used: 5.20 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.038789 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.34E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.212E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.20 (KowWin est) Log Kaw used: -0.019 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.219 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7850 Biowin2 (Non-Linear Model) : 0.8914 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8005 (weeks ) Biowin4 (Primary Survey Model) : 3.5780 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1969 Biowin6 (MITI Non-Linear Model): 0.1232 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1509 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): 19.5 Pa (0.146 mm Hg) Log Koa (Koawin est ): 5.219 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.54E-007 Octanol/air (Koa) model: 4.06E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.57E-006 Mackay model : 1.23E-005 Octanol/air (Koa) model: 3.25E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.5087 E-12 cm3/molecule-sec Half-Life = 0.319 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.830 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 8.95E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6957 Log Koc: 3.842 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 = 3.303 (BCF = 2009) log Kow used: 5.20 (estimated) Volatilization from Water: Henry LC: 0.0234 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.442 hours Half-Life from Model Lake : 131.4 hours (5.476 days) Removal In Wastewater Treatment: Total removal: 94.54 percent Total biodegradation: 0.33 percent Total sludge adsorption: 61.58 percent Total to Air: 32.62 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.755 5.74 1000 Water 12.1 360 1000 Soil 66 720 1000 Sediment 21.1 3.24e+003 0 Persistence Time: 494 hr
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