Bis(trimethylsilyl) succinate
C[Si](C)(C)OC(=O)CCC(=O)O[Si](C)(C)C
InChI=1S/C10H22O4Si2/c1-15(2,3)13-9(11)7-8-10(12)14-16(4,5)6/h7-8H2,1-6H3
QUUDZINXVRFXLB-UHFFFAOYSA-N
CSID:454437, http://www.chemspider.com/Chemical-Structure.454437.html (accessed 01:13, Oct 4, 2023)
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) = 3.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 218.77 (Adapted Stein & Brown method) Melting Pt (deg C): -52.09 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.14 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8.466 log Kow used: 3.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6578.2 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 : 1.95E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.711E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.95 (KowWin est) Log Kaw used: -2.098 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.048 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6226 Biowin2 (Non-Linear Model) : 0.3278 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6192 (weeks-months) Biowin4 (Primary Survey Model) : 3.4691 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0326 Biowin6 (MITI Non-Linear Model): 0.0167 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4106 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): 17.3 Pa (0.13 mm Hg) Log Koa (Koawin est ): 6.048 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.73E-007 Octanol/air (Koa) model: 2.74E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.25E-006 Mackay model : 1.38E-005 Octanol/air (Koa) model: 2.19E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.6099 E-12 cm3/molecule-sec Half-Life = 6.644 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 79.728 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 87.65 Log Koc: 1.943 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 = 2.345 (BCF = 221.1) log Kow used: 3.95 (estimated) Volatilization from Water: Henry LC: 0.000195 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.517 hours Half-Life from Model Lake : 206.9 hours (8.623 days) Removal In Wastewater Treatment: Total removal: 33.14 percent Total biodegradation: 0.28 percent Total sludge adsorption: 26.61 percent Total to Air: 6.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.17 159 1000 Water 11.7 900 1000 Soil 82.7 1.8e+003 1000 Sediment 2.46 8.1e+003 0 Persistence Time: 1.02e+003 hr
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