Diallyl(benzyl)vinylsilane
C=CC[Si](CC=C)(Cc1ccccc1)C=C
InChI=1S/C15H20Si/c1-4-12-16(6-3,13-5-2)14-15-10-8-7-9-11-15/h4-11H,1-3,12-14H2
DEDXRSJHIGOEQS-UHFFFAOYSA-N
CSID:9271530, http://www.chemspider.com/Chemical-Structure.9271530.html (accessed 00:20, Mar 29, 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) = 6.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 277.16 (Adapted Stein & Brown method) Melting Pt (deg C): 23.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00623 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.09209 log Kow used: 6.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00072805 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.09E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.033E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.47 (KowWin est) Log Kaw used: 0.102 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.368 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7669 Biowin2 (Non-Linear Model) : 0.8270 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7164 (weeks-months) Biowin4 (Primary Survey Model) : 3.5231 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1725 Biowin6 (MITI Non-Linear Model): 0.0775 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0400 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): 0.868 Pa (0.00651 mm Hg) Log Koa (Koawin est ): 6.368 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.46E-006 Octanol/air (Koa) model: 5.73E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000125 Mackay model : 0.000276 Octanol/air (Koa) model: 4.58E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 86.8273 E-12 cm3/molecule-sec Half-Life = 0.123 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.478 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.575000 E-17 cm3/molecule-sec Half-Life = 0.445 Days (at 7E11 mol/cm3) Half-Life = 10.681 Hrs Fraction sorbed to airborne particulates (phi): 0.000201 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.62E+004 Log Koc: 4.750 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 = 4.284 (BCF = 1.923e+004) log Kow used: 6.47 (estimated) Volatilization from Water: Henry LC: 0.0309 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.571 hours Half-Life from Model Lake : 143.9 hours (5.994 days) Removal In Wastewater Treatment: Total removal: 94.46 percent Total biodegradation: 0.68 percent Total sludge adsorption: 87.26 percent Total to Air: 6.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0507 2.32 1000 Water 2.58 900 1000 Soil 34.4 1.8e+003 1000 Sediment 63 8.1e+003 0 Persistence Time: 2.49e+003 hr
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