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5-Silaspiro[4.4]nona-2,7-diene
C1C=CC[Si]12CC=CC2
InChI=1S/C8H12Si/c1-2-6-9(5-1)7-3-4-8-9/h1-4H,5-8H2
MWYJEQFLQHJIOS-UHFFFAOYSA-N
CSID:484797, http://www.chemspider.com/Chemical-Structure.484797.html (accessed 06:31, Apr 28, 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) = 4.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 137.29 (Adapted Stein & Brown method) Melting Pt (deg C): 0.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.19 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 31.5 log Kow used: 4.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.6477 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.03E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.093E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.03 (KowWin est) Log Kaw used: 0.624 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.406 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6827 Biowin2 (Non-Linear Model) : 0.7453 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8980 (weeks ) Biowin4 (Primary Survey Model) : 3.6511 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4104 Biowin6 (MITI Non-Linear Model): 0.4138 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0619 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): 884 Pa (6.63 mm Hg) Log Koa (Koawin est ): 3.406 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.39E-009 Octanol/air (Koa) model: 6.25E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.23E-007 Mackay model : 2.71E-007 Octanol/air (Koa) model: 5E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 115.4301 E-12 cm3/molecule-sec Half-Life = 0.093 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.112 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 40.000000 E-17 cm3/molecule-sec Half-Life = 0.029 Days (at 7E11 mol/cm3) Half-Life = 41.256 Min Fraction sorbed to airborne particulates (phi): 1.97E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 934.6 Log Koc: 2.971 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 = 2.402 (BCF = 252.2) log Kow used: 4.03 (estimated) Volatilization from Water: Henry LC: 0.103 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.198 hours Half-Life from Model Lake : 110.9 hours (4.623 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.90 percent Total biodegradation: 0.07 percent Total sludge adsorption: 18.39 percent Total to Air: 79.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.41 0.525 1000 Water 44.4 360 1000 Soil 49.2 720 1000 Sediment 6.04 3.24e+003 0 Persistence Time: 138 hr
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