Trimethyl(7-methylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)silane
CC1(Cc2c1cccc2)[Si](C)(C)C
InChI=1S/C12H18Si/c1-12(13(2,3)4)9-10-7-5-6-8-11(10)12/h5-8H,9H2,1-4H3
FOPPMGYPVAXAHE-UHFFFAOYSA-N
CSID:2034078, http://www.chemspider.com/Chemical-Structure.2034078.html (accessed 08:58, Apr 18, 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) = 5.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 220.75 (Adapted Stein & Brown method) Melting Pt (deg C): 29.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.107 (Modified Grain method) Subcooled liquid VP: 0.117 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): 1.636 log Kow used: 5.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.033664 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.15E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.638E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.24 (KowWin est) Log Kaw used: -0.328 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.568 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5277 Biowin2 (Non-Linear Model) : 0.3014 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4915 (weeks-months) Biowin4 (Primary Survey Model) : 3.3511 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1922 Biowin6 (MITI Non-Linear Model): 0.1055 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3199 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): 15.6 Pa (0.117 mm Hg) Log Koa (Koawin est ): 5.568 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.92E-007 Octanol/air (Koa) model: 9.08E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.95E-006 Mackay model : 1.54E-005 Octanol/air (Koa) model: 7.26E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.7502 E-12 cm3/molecule-sec Half-Life = 1.585 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 19.014 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.12E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6129 Log Koc: 3.787 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 = 3.336 (BCF = 2167) log Kow used: 5.24 (estimated) Volatilization from Water: Henry LC: 0.0115 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.478 hours Half-Life from Model Lake : 131.8 hours (5.492 days) Removal In Wastewater Treatment: Total removal: 91.84 percent Total biodegradation: 0.44 percent Total sludge adsorption: 68.04 percent Total to Air: 23.36 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.55 38 1000 Water 6.4 900 1000 Soil 67.7 1.8e+003 1000 Sediment 24.4 8.1e+003 0 Persistence Time: 1.19e+003 hr
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