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Di-9H-fluoren-1-yl(dimethyl)silane
C[Si](C)(c2cccc1c3ccccc3Cc12)c5cccc4c6ccccc6Cc45
InChI=1S/C28H24Si/c1-29(2,27-15-7-13-23-21-11-5-3-9-19(21)17-25(23)27)28-16-8-14-24-22-12-6-4-10-20(22)18-26(24)28/h3-16H,17-18H2,1-2H3
LTOBXQFQSXFEER-UHFFFAOYSA-N
CSID:10637555, http://www.chemspider.com/Chemical-Structure.10637555.html (accessed 02:19, Jul 7, 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) = 9.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 519.67 (Adapted Stein & Brown method) Melting Pt (deg C): 221.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.84E-011 (Modified Grain method) Subcooled liquid VP: 8.7E-009 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): 1.854e-006 log Kow used: 9.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.7093e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.21E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.886E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.58 (KowWin est) Log Kaw used: -4.595 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.175 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6719 Biowin2 (Non-Linear Model) : 0.2050 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1907 (months ) Biowin4 (Primary Survey Model) : 3.1500 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4394 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9027 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): 1.16E-006 Pa (8.7E-009 mm Hg) Log Koa (Koawin est ): 14.175 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.59 Octanol/air (Koa) model: 36.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.989 Mackay model : 0.995 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.0022 E-12 cm3/molecule-sec Half-Life = 0.594 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.130 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.391E+008 Log Koc: 8.143 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 = 1.280 (BCF = 19.06) log Kow used: 9.58 (estimated) Volatilization from Water: Henry LC: 6.21E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1861 hours (77.52 days) Half-Life from Model Lake : 2.046E+004 hours (852.6 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0724 14.3 1000 Water 1.29 1.44e+003 1000 Soil 34.6 2.88e+003 1000 Sediment 64 1.3e+004 0 Persistence Time: 5.21e+003 hr
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