Bis(trimethylsilyl) adipate
C[Si](C)(C)OC(=O)CCCCC(=O)O[Si](C)(C)C
InChI=1S/C12H26O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-10H2,1-6H3
DVGSOFSBBKDKRU-UHFFFAOYSA-N
CSID:78890, http://www.chemspider.com/Chemical-Structure.78890.html (accessed 11:24, May 30, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.94 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 255.05 (Adapted Stein & Brown method) Melting Pt (deg C): -30.23 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0208 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.8487 log Kow used: 4.94 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 614.01 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 : 3.44E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.368E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.94 (KowWin est) Log Kaw used: -1.852 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.792 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6092 Biowin2 (Non-Linear Model) : 0.2467 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5572 (weeks-months) Biowin4 (Primary Survey Model) : 3.4286 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0480 Biowin6 (MITI Non-Linear Model): 0.0175 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4626 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): 2.73 Pa (0.0205 mm Hg) Log Koa (Koawin est ): 6.792 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.1E-006 Octanol/air (Koa) model: 1.52E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.96E-005 Mackay model : 8.78E-005 Octanol/air (Koa) model: 0.000122 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.4360 E-12 cm3/molecule-sec Half-Life = 2.411 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.934 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.37E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 298.2 Log Koc: 2.474 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 = 3.101 (BCF = 1261) log Kow used: 4.94 (estimated) Volatilization from Water: Henry LC: 0.000344 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.64 hours Half-Life from Model Lake : 193.5 hours (8.064 days) Removal In Wastewater Treatment: Total removal: 77.00 percent Total biodegradation: 0.64 percent Total sludge adsorption: 73.46 percent Total to Air: 2.91 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.8 57.9 1000 Water 8.47 900 1000 Soil 72.7 1.8e+003 1000 Sediment 17 8.1e+003 0 Persistence Time: 1.19e+003 hr
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