3-(1-cyclohex-2-enyl)propyl-phenyl-silicon
c1ccc(cc1)[Si]CCCC2CCCC=C2
InChI=1S/C15H20Si/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h2-3,5-6,8,11-12,14H,1,4,7,9-10,13H2
IATNQODYNYSLLJ-UHFFFAOYSA-N
CSID:8832473, http://www.chemspider.com/Chemical-Structure.8832473.html (accessed 09:02, Mar 29, 2024)
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) = 6.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 294.81 (Adapted Stein & Brown method) Melting Pt (deg C): 51.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00146 (Modified Grain method) Subcooled liquid VP: 0.00257 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.05225 log Kow used: 6.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.33977 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.69E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.472E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.75 (KowWin est) Log Kaw used: 0.041 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.709 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7659 Biowin2 (Non-Linear Model) : 0.8228 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7120 (weeks-months) Biowin4 (Primary Survey Model) : 3.5202 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3000 Biowin6 (MITI Non-Linear Model): 0.1680 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1874 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): 0.343 Pa (0.00257 mm Hg) Log Koa (Koawin est ): 6.709 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.75E-006 Octanol/air (Koa) model: 1.26E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000316 Mackay model : 0.0007 Octanol/air (Koa) model: 0.0001 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 69.3496 E-12 cm3/molecule-sec Half-Life = 0.154 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.851 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 0.000508 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.085E+004 Log Koc: 4.850 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 = 4.496 (BCF = 3.134e+004) log Kow used: 6.75 (estimated) Volatilization from Water: Henry LC: 0.0269 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.582 hours Half-Life from Model Lake : 144.5 hours (6.023 days) Removal In Wastewater Treatment: Total removal: 94.21 percent Total biodegradation: 0.73 percent Total sludge adsorption: 90.21 percent Total to Air: 3.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0192 1 1000 Water 2.28 900 1000 Soil 31.5 1.8e+003 1000 Sediment 66.2 8.1e+003 0 Persistence Time: 2.73e+003 hr
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