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Trimethylsilyl nonadecanoate
CCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChI=1S/C22H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-25(2,3)4/h5-21H2,1-4H3
DQTLRECATIBSSN-UHFFFAOYSA-N
CSID:455812, http://www.chemspider.com/Chemical-Structure.455812.html (accessed 04:40, Apr 27, 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) = 10.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 383.53 (Adapted Stein & Brown method) Melting Pt (deg C): 112.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.86E-006 (Modified Grain method) Subcooled liquid VP: 2.08E-005 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): 5.04e-006 log Kow used: 10.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.5406e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.07E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.768E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.50 (KowWin est) Log Kaw used: 1.221 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.279 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6795 Biowin2 (Non-Linear Model) : 0.3986 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6783 (weeks-months) Biowin4 (Primary Survey Model) : 3.5820 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4510 Biowin6 (MITI Non-Linear Model): 0.3107 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6419 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): 0.00277 Pa (2.08E-005 mm Hg) Log Koa (Koawin est ): 9.279 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00108 Octanol/air (Koa) model: 0.000467 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0376 Mackay model : 0.0796 Octanol/air (Koa) model: 0.036 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.3168 E-12 cm3/molecule-sec Half-Life = 0.459 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.505 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0586 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.023E+005 Log Koc: 5.780 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 = 0.500 (BCF = 3.162) log Kow used: 10.50 (estimated) Volatilization from Water: Henry LC: 0.407 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.967 hours Half-Life from Model Lake : 182.9 hours (7.621 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.144 11 1000 Water 1.89 900 1000 Soil 28.2 1.8e+003 1000 Sediment 69.8 8.1e+003 0 Persistence Time: 3.12e+003 hr
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