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(4-Methoxy-3,5-dimethylphenyl)(trimethyl)silane
Cc1cc(cc(c1OC)C)[Si](C)(C)C
InChI=1S/C12H20OSi/c1-9-7-11(14(4,5)6)8-10(2)12(9)13-3/h7-8H,1-6H3
ZYTZGESMAZLOTC-UHFFFAOYSA-N
CSID:2041585, http://www.chemspider.com/Chemical-Structure.2041585.html (accessed 04:56, May 6, 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) = 5.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 247.93 (Adapted Stein & Brown method) Melting Pt (deg C): 38.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0223 (Modified Grain method) Subcooled liquid VP: 0.0296 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): 0.8111 log Kow used: 5.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.159 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.81E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.538E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.49 (KowWin est) Log Kaw used: -1.397 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.887 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8896 Biowin2 (Non-Linear Model) : 0.9693 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5309 (weeks-months) Biowin4 (Primary Survey Model) : 3.4872 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3884 Biowin6 (MITI Non-Linear Model): 0.2253 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2386 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): 3.95 Pa (0.0296 mm Hg) Log Koa (Koawin est ): 6.887 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.6E-007 Octanol/air (Koa) model: 1.89E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.75E-005 Mackay model : 6.08E-005 Octanol/air (Koa) model: 0.000151 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.0452 E-12 cm3/molecule-sec Half-Life = 0.820 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.839 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.41E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2298 Log Koc: 3.361 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 = 3.528 (BCF = 3370) log Kow used: 5.49 (estimated) Volatilization from Water: Henry LC: 0.000981 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.335 hours Half-Life from Model Lake : 146.5 hours (6.105 days) Removal In Wastewater Treatment: Total removal: 88.78 percent Total biodegradation: 0.71 percent Total sludge adsorption: 85.68 percent Total to Air: 2.38 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.707 19.7 1000 Water 5.57 900 1000 Soil 58.8 1.8e+003 1000 Sediment 34.9 8.1e+003 0 Persistence Time: 1.47e+003 hr
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