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{2-[1-(Trimethylsilyl)ethyl]phenyl}methanol
CC(c1ccccc1CO)[Si](C)(C)C
InChI=1S/C12H20OSi/c1-10(14(2,3)4)12-8-6-5-7-11(12)9-13/h5-8,10,13H,9H2,1-4H3
ULRHWOFLEWHTSY-UHFFFAOYSA-N
CSID:10211169, http://www.chemspider.com/Chemical-Structure.10211169.html (accessed 04:57, 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) = 3.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 282.96 (Adapted Stein & Brown method) Melting Pt (deg C): 48.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000246 (Modified Grain method) Subcooled liquid VP: 0.0004 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): 56.84 log Kow used: 3.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4641 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.56E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.187E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.93 (KowWin est) Log Kaw used: -4.408 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.338 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8071 Biowin2 (Non-Linear Model) : 0.7627 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8987 (weeks ) Biowin4 (Primary Survey Model) : 3.6765 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2224 Biowin6 (MITI Non-Linear Model): 0.1431 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2946 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): 0.0533 Pa (0.0004 mm Hg) Log Koa (Koawin est ): 8.338 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.62E-005 Octanol/air (Koa) model: 5.35E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00203 Mackay model : 0.00448 Octanol/air (Koa) model: 0.00426 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.9895 E-12 cm3/molecule-sec Half-Life = 0.892 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.705 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00325 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 347.9 Log Koc: 2.541 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 = 1.673 (BCF = 47.14) log Kow used: 3.93 (estimated) Volatilization from Water: Henry LC: 9.56E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 885.5 hours (36.9 days) Half-Life from Model Lake : 9781 hours (407.6 days) Removal In Wastewater Treatment: Total removal: 27.01 percent Total biodegradation: 0.30 percent Total sludge adsorption: 26.67 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.47 21.4 1000 Water 23 360 1000 Soil 73 720 1000 Sediment 2.52 3.24e+003 0 Persistence Time: 499 hr
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