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1,1-Diethynyl-3,4-dimethyl-2,5-dihydro-1H-silole
C#C[Si]1(C#C)C/C(=C(\C1)C)C
InChI=1S/C10H12Si/c1-5-11(6-2)7-9(3)10(4)8-11/h1-2H,7-8H2,3-4H3
QOMBPWTVINYRNA-UHFFFAOYSA-N
CSID:8972357, http://www.chemspider.com/Chemical-Structure.8972357.html (accessed 23:45, May 9, 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) = 3.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 177.45 (Adapted Stein & Brown method) Melting Pt (deg C): 31.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.866 (Modified Grain method) Subcooled liquid VP: 0.992 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): 31.43 log Kow used: 3.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.80167 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.21E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.811E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.91 (KowWin est) Log Kaw used: -0.306 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.216 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6712 Biowin2 (Non-Linear Model) : 0.6754 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8449 (weeks ) Biowin4 (Primary Survey Model) : 3.6165 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2755 Biowin6 (MITI Non-Linear Model): 0.1694 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4369 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): 132 Pa (0.992 mm Hg) Log Koa (Koawin est ): 4.216 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.27E-008 Octanol/air (Koa) model: 4.04E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.19E-007 Mackay model : 1.81E-006 Octanol/air (Koa) model: 3.23E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 125.5871 E-12 cm3/molecule-sec Half-Life = 0.085 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.022 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 120.005997 E-17 cm3/molecule-sec Half-Life = 0.010 Days (at 7E11 mol/cm3) Half-Life = 13.751 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1.32E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2253 Log Koc: 3.353 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 = 2.308 (BCF = 203.4) log Kow used: 3.91 (estimated) Volatilization from Water: Henry LC: 0.0121 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.353 hours Half-Life from Model Lake : 120.9 hours (5.038 days) Removal In Wastewater Treatment: Total removal: 84.99 percent Total biodegradation: 0.10 percent Total sludge adsorption: 16.98 percent Total to Air: 67.90 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0651 0.206 1000 Water 22.2 360 1000 Soil 75.4 720 1000 Sediment 2.32 3.24e+003 0 Persistence Time: 280 hr
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