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[(4-Chlorobenzyl)oxy](dimethyl)silane
C[SiH](C)OCc1ccc(cc1)Cl
InChI=1S/C9H13ClOSi/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-6,12H,7H2,1-2H3
OYJQIXBTWUOUAO-UHFFFAOYSA-N
CSID:19985075, http://www.chemspider.com/Chemical-Structure.19985075.html (accessed 18:48, Apr 30, 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) = 3.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 241.96 (Adapted Stein & Brown method) Melting Pt (deg C): 6.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0417 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 33.35 log Kow used: 3.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 544.15 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.03E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.303E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.65 (KowWin est) Log Kaw used: -1.542 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.192 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4696 Biowin2 (Non-Linear Model) : 0.1350 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5490 (weeks-months) Biowin4 (Primary Survey Model) : 3.3928 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0991 Biowin6 (MITI Non-Linear Model): 0.0434 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1144 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): 5.35 Pa (0.0401 mm Hg) Log Koa (Koawin est ): 5.192 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.61E-007 Octanol/air (Koa) model: 3.82E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.03E-005 Mackay model : 4.49E-005 Octanol/air (Koa) model: 3.06E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.6677 E-12 cm3/molecule-sec Half-Life = 1.395 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 16.739 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.26E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4410 Log Koc: 3.644 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 = 2.108 (BCF = 128.2) log Kow used: 3.65 (estimated) Volatilization from Water: Henry LC: 0.000703 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.626 hours Half-Life from Model Lake : 147.4 hours (6.144 days) Removal In Wastewater Treatment: Total removal: 34.77 percent Total biodegradation: 0.18 percent Total sludge adsorption: 15.04 percent Total to Air: 19.55 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.11 33.5 1000 Water 11 900 1000 Soil 85.8 1.8e+003 1000 Sediment 1.14 8.1e+003 0 Persistence Time: 852 hr
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