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Chloro(diethoxy)methylsilane
C[Si](Cl)(OCC)OCC
InChI=1S/C5H13ClO2Si/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3
PELBZXLLQLEQAU-UHFFFAOYSA-N
Date of deprecation: 11:53, May 7, 2024 Reason for deprecation: Deprecate record:
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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) = 1.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 132.63 (Adapted Stein & Brown method) Melting Pt (deg C): -40.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.89 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4561 log Kow used: 1.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.0172e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.04E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.327E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.33 (KowWin est) Log Kaw used: -1.607 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.937 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6672 Biowin2 (Non-Linear Model) : 0.6487 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8264 (weeks ) Biowin4 (Primary Survey Model) : 3.6043 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3103 Biowin6 (MITI Non-Linear Model): 0.1935 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6493 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): 1.09E+003 Pa (8.21 mm Hg) Log Koa (Koawin est ): 2.937 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.74E-009 Octanol/air (Koa) model: 2.12E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.9E-008 Mackay model : 2.19E-007 Octanol/air (Koa) model: 1.7E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.4964 E-12 cm3/molecule-sec Half-Life = 0.856 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.271 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.59E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 653 Log Koc: 2.815 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 = 0.324 (BCF = 2.109) log Kow used: 1.33 (estimated) Volatilization from Water: Henry LC: 0.000604 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.584 hours Half-Life from Model Lake : 137.1 hours (5.713 days) Removal In Wastewater Treatment: Total removal: 22.32 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.52 percent Total to Air: 20.73 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 11.3 20.5 1000 Water 52.5 360 1000 Soil 36.1 720 1000 Sediment 0.115 3.24e+003 0 Persistence Time: 146 hr
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