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Bis(trimethylsilyl) 2-methylenesuccinate
C[Si](C)(C)OC(=O)CC(=C)C(=O)O[Si](C)(C)C
InChI=1S/C11H22O4Si2/c1-9(11(13)15-17(5,6)7)8-10(12)14-16(2,3)4/h1,8H2,2-7H3
IYEWOPPVIQNFQO-UHFFFAOYSA-N
CSID:455012, http://www.chemspider.com/Chemical-Structure.455012.html (accessed 13:00, Apr 25, 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) = 4.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 231.00 (Adapted Stein & Brown method) Melting Pt (deg C): -50.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0742 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.227 log Kow used: 4.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3396.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Esters Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.22E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.304E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.36 (KowWin est) Log Kaw used: -2.302 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.662 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6169 Biowin2 (Non-Linear Model) : 0.2914 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5926 (weeks-months) Biowin4 (Primary Survey Model) : 3.4517 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0401 Biowin6 (MITI Non-Linear Model): 0.0082 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2376 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): 9.35 Pa (0.0701 mm Hg) Log Koa (Koawin est ): 6.662 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.21E-007 Octanol/air (Koa) model: 1.13E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.16E-005 Mackay model : 2.57E-005 Octanol/air (Koa) model: 9.02E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.1771 E-12 cm3/molecule-sec Half-Life = 0.558 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.693 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 1.86E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 144.9 Log Koc: 2.161 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 = 2.661 (BCF = 458.1) log Kow used: 4.36 (estimated) Volatilization from Water: Henry LC: 0.000122 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.641 hours Half-Life from Model Lake : 244.1 hours (10.17 days) Removal In Wastewater Treatment: Total removal: 50.57 percent Total biodegradation: 0.45 percent Total sludge adsorption: 47.21 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 0.457 8.61 1000 Water 12 900 1000 Soil 81 1.8e+003 1000 Sediment 6.52 8.1e+003 0 Persistence Time: 1.06e+003 hr
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