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Trimethyl[(3-phenyl-1-propen-2-yl)oxy]silane
C[Si](C)(C)OC(=C)Cc1ccccc1
InChI=1S/C12H18OSi/c1-11(13-14(2,3)4)10-12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3
OEHNYSQPYONHIW-UHFFFAOYSA-N
CSID:8663919, http://www.chemspider.com/Chemical-Structure.8663919.html (accessed 09:33, Jun 15, 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) = 4.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 241.78 (Adapted Stein & Brown method) Melting Pt (deg C): 10.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0421 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.409 log Kow used: 4.45 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 188.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.36E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.784E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.45 (KowWin est) Log Kaw used: -0.255 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.705 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8321 Biowin2 (Non-Linear Model) : 0.9209 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6903 (weeks-months) Biowin4 (Primary Survey Model) : 3.4864 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0972 Biowin6 (MITI Non-Linear Model): 0.0552 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0696 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): 5.4 Pa (0.0405 mm Hg) Log Koa (Koawin est ): 4.705 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.56E-007 Octanol/air (Koa) model: 1.24E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.01E-005 Mackay model : 4.44E-005 Octanol/air (Koa) model: 9.96E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 57.6279 E-12 cm3/molecule-sec Half-Life = 0.186 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.227 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 3.23E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.161E+004 Log Koc: 4.065 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 = 2.728 (BCF = 534) log Kow used: 4.45 (estimated) Volatilization from Water: Henry LC: 0.0136 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.528 hours Half-Life from Model Lake : 137.1 hours (5.713 days) Removal In Wastewater Treatment: Total removal: 89.05 percent Total biodegradation: 0.19 percent Total sludge adsorption: 36.61 percent Total to Air: 52.24 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.466 3.76 1000 Water 11.2 900 1000 Soil 80.9 1.8e+003 1000 Sediment 7.47 8.1e+003 0 Persistence Time: 704 hr
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