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Bis[dimethyl(2-methyl-2-propanyl)silyl] malonate
CC(C)(C)[Si](C)(C)OC(=O)CC(=O)O[Si](C)(C)C(C)(C)C
InChI=1S/C15H32O4Si2/c1-14(2,3)20(7,8)18-12(16)11-13(17)19-21(9,10)15(4,5)6/h11H2,1-10H3
KSYBDZGPOBPAMS-UHFFFAOYSA-N
CSID:460682, http://www.chemspider.com/Chemical-Structure.460682.html (accessed 01:43, 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) = 6.19 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 271.85 (Adapted Stein & Brown method) Melting Pt (deg C): -5.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00834 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.04099 log Kow used: 6.19 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 104.28 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]: 8.904E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.19 (KowWin est) Log Kaw used: -1.483 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.673 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2213 Biowin2 (Non-Linear Model) : 0.0057 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0399 (months ) Biowin4 (Primary Survey Model) : 3.0610 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0886 Biowin6 (MITI Non-Linear Model): 0.0035 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6021 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): 1.14 Pa (0.00858 mm Hg) Log Koa (Koawin est ): 7.673 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.62E-006 Octanol/air (Koa) model: 1.16E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.47E-005 Mackay model : 0.00021 Octanol/air (Koa) model: 0.000924 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.6918 E-12 cm3/molecule-sec Half-Life = 6.322 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 75.865 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000152 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1014 Log Koc: 3.006 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 = 4.064 (BCF = 1.159e+004) log Kow used: 6.19 (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: 92.89 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.69 percent Total to Air: 0.43 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.799 152 1000 Water 2.27 1.44e+003 1000 Soil 39.9 2.88e+003 1000 Sediment 57 1.3e+004 0 Persistence Time: 3.47e+003 hr
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