Try beta.chemspider
- Double-bond stereo
(4E)-4-Methoxy-2,2,8,8-tetramethyl-6-methylene-3,7-dioxa-2,8-disilanon-4-ene
C[Si](C)(C)OC(=C/C(=C)O[Si](C)(C)C)/OC
InChI=1S/C11H24O3Si2/c1-10(13-15(3,4)5)9-11(12-2)14-16(6,7)8/h9H,1H2,2-8H3/b11-9+
ONKLJUYMIXSEQN-PKNBQFBNSA-N
CSID:9272464, http://www.chemspider.com/Chemical-Structure.9272464.html (accessed 14:44, May 21, 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) = 3.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 232.58 (Adapted Stein & Brown method) Melting Pt (deg C): -3.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0683 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 30.24 log Kow used: 3.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.6473e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.20E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.741E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.32 (KowWin est) Log Kaw used: -0.046 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.366 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2762 Biowin2 (Non-Linear Model) : 0.0160 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6149 (weeks-months) Biowin4 (Primary Survey Model) : 3.4622 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0399 Biowin6 (MITI Non-Linear Model): 0.0075 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1987 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): 8.63 Pa (0.0647 mm Hg) Log Koa (Koawin est ): 3.366 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.48E-007 Octanol/air (Koa) model: 5.7E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.26E-005 Mackay model : 2.78E-005 Octanol/air (Koa) model: 4.56E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 248.7272 E-12 cm3/molecule-sec Half-Life = 0.043 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.516 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 4.050000 E-17 cm3/molecule-sec Half-Life = 0.283 Days (at 7E11 mol/cm3) Half-Life = 6.791 Hrs Fraction sorbed to airborne particulates (phi): 2.02E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1255 Log Koc: 3.099 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 = 1.856 (BCF = 71.78) log Kow used: 3.32 (estimated) Volatilization from Water: Henry LC: 0.022 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.69 hours Half-Life from Model Lake : 153.8 hours (6.407 days) Removal In Wastewater Treatment: Total removal: 89.92 percent Total biodegradation: 0.04 percent Total sludge adsorption: 5.30 percent Total to Air: 84.57 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.685 0.896 1000 Water 50.8 900 1000 Soil 46.1 1.8e+003 1000 Sediment 2.41 8.1e+003 0 Persistence Time: 155 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight