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2,2-Dimethyl-1,3,2-dioxasilepane
O1CCCCO[Si]1(C)C
InChI=1S/C6H14O2Si/c1-9(2)7-5-3-4-6-8-9/h3-6H2,1-2H3
YZGMLYSGWNGCMK-UHFFFAOYSA-N
CSID:9052532, http://www.chemspider.com/Chemical-Structure.9052532.html (accessed 05:39, May 26, 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) = 1.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 135.23 (Adapted Stein & Brown method) Melting Pt (deg C): 1.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4508 log Kow used: 1.45 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.9463e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.21E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.373E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.45 (KowWin est) Log Kaw used: -1.424 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.874 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6779 Biowin2 (Non-Linear Model) : 0.7174 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8759 (weeks ) Biowin4 (Primary Survey Model) : 3.6367 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3567 Biowin6 (MITI Non-Linear Model): 0.3292 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1969 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): 972 Pa (7.29 mm Hg) Log Koa (Koawin est ): 2.874 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.09E-009 Octanol/air (Koa) model: 1.84E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.11E-007 Mackay model : 2.47E-007 Octanol/air (Koa) model: 1.47E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.3565 E-12 cm3/molecule-sec Half-Life = 0.478 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.741 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.79E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 725.3 Log Koc: 2.861 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 = 0.420 (BCF = 2.631) log Kow used: 1.45 (estimated) Volatilization from Water: Henry LC: 0.000921 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.003 hours Half-Life from Model Lake : 123.3 hours (5.136 days) Removal In Wastewater Treatment: Total removal: 29.28 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.43 percent Total to Air: 27.78 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.52 11.5 1000 Water 57.5 360 1000 Soil 33.8 720 1000 Sediment 0.133 3.24e+003 0 Persistence Time: 125 hr
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