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1-Methyl-1-(octyloxy)siletane
CCCCCCCCO[Si]1(CCC1)C
InChI=1S/C12H26OSi/c1-3-4-5-6-7-8-10-13-14(2)11-9-12-14/h3-12H2,1-2H3
PJNNABHYWHGSDS-UHFFFAOYSA-N
CSID:520335, http://www.chemspider.com/Chemical-Structure.520335.html (accessed 17:11, Jul 4, 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) = 5.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 222.89 (Adapted Stein & Brown method) Melting Pt (deg C): 39.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0783 (Modified Grain method) Subcooled liquid VP: 0.106 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): 0.5424 log Kow used: 5.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28.901 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.88E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.073E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.66 (KowWin est) Log Kaw used: 0.449 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.211 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7539 Biowin2 (Non-Linear Model) : 0.8591 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0237 (weeks ) Biowin4 (Primary Survey Model) : 3.8074 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4801 Biowin6 (MITI Non-Linear Model): 0.5226 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1811 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): 14.1 Pa (0.106 mm Hg) Log Koa (Koawin est ): 5.211 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.12E-007 Octanol/air (Koa) model: 3.99E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.67E-006 Mackay model : 1.7E-005 Octanol/air (Koa) model: 3.19E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.2499 E-12 cm3/molecule-sec Half-Life = 0.556 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.668 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.23E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.667E+004 Log Koc: 4.222 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 = 2.657 (BCF = 453.6) log Kow used: 5.66 (estimated) Volatilization from Water: Henry LC: 0.0688 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.507 hours Half-Life from Model Lake : 139.2 hours (5.801 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.16 percent Total biodegradation: 0.33 percent Total sludge adsorption: 65.97 percent Total to Air: 30.85 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.18 13.3 1000 Water 9.03 360 1000 Soil 51.4 720 1000 Sediment 38.4 3.24e+003 0 Persistence Time: 633 hr
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