Bis(trimethylsilyl) azelaate
C[Si](C)(C)OC(=O)CCCCCCCC(=O)O[Si](C)(C)C
InChI=1S/C15H32O4Si2/c1-20(2,3)18-14(16)12-10-8-7-9-11-13-15(17)19-21(4,5)6/h7-13H2,1-6H3
UGESQDAUQLNVHU-UHFFFAOYSA-N
CSID:453136, http://www.chemspider.com/Chemical-Structure.453136.html (accessed 07:11, Apr 20, 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) = 6.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 302.67 (Adapted Stein & Brown method) Melting Pt (deg C): 0.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00169 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.02648 log Kow used: 6.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 17.213 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 : 8.05E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.793E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.41 (KowWin est) Log Kaw used: -1.483 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.893 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5892 Biowin2 (Non-Linear Model) : 0.1526 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4642 (weeks-months) Biowin4 (Primary Survey Model) : 3.3679 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0711 Biowin6 (MITI Non-Linear Model): 0.0188 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5406 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): 0.225 Pa (0.00169 mm Hg) Log Koa (Koawin est ): 7.893 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.33E-005 Octanol/air (Koa) model: 1.92E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000481 Mackay model : 0.00106 Octanol/air (Koa) model: 0.00153 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.6751 E-12 cm3/molecule-sec Half-Life = 1.233 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.795 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000772 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1871 Log Koc: 3.272 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 = 2.735 (BCF = 543.6) log Kow used: 6.41 (estimated) Volatilization from Water: Henry LC: 0.000805 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.187 hours Half-Life from Model Lake : 187.7 hours (7.82 days) Removal In Wastewater Treatment: Total removal: 93.34 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.31 percent Total to Air: 0.26 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.45 29.6 1000 Water 2.69 900 1000 Soil 34.3 1.8e+003 1000 Sediment 62.5 8.1e+003 0 Persistence Time: 2.52e+003 hr
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