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(3,6-Dihydro-2H-pyran-4-yloxy)(trimethyl)silane
C[Si](C)(C)O\C1=C\COCC1
InChI=1S/C8H16O2Si/c1-11(2,3)10-8-4-6-9-7-5-8/h4H,5-7H2,1-3H3
BPEVXPRYOPHOAH-UHFFFAOYSA-N
CSID:9270241, http://www.chemspider.com/Chemical-Structure.9270241.html (accessed 08:19, Jun 16, 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) = 2.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 186.96 (Adapted Stein & Brown method) Melting Pt (deg C): -8.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.687 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 679.8 log Kow used: 2.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.2345e+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 : 1.36E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.291E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.28 (KowWin est) Log Kaw used: -1.255 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.535 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3182 Biowin2 (Non-Linear Model) : 0.0538 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8097 (weeks ) Biowin4 (Primary Survey Model) : 3.5894 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2676 Biowin6 (MITI Non-Linear Model): 0.1469 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0934 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): 83.5 Pa (0.626 mm Hg) Log Koa (Koawin est ): 3.535 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.59E-008 Octanol/air (Koa) model: 8.41E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.3E-006 Mackay model : 2.88E-006 Octanol/air (Koa) model: 6.73E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 103.3230 E-12 cm3/molecule-sec Half-Life = 0.104 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.242 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 2.09E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 114.7 Log Koc: 2.059 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 = 1.054 (BCF = 11.33) log Kow used: 2.28 (estimated) Volatilization from Water: Henry LC: 0.00136 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.905 hours Half-Life from Model Lake : 130.8 hours (5.452 days) Removal In Wastewater Treatment: Total removal: 37.29 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.85 percent Total to Air: 35.36 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.927 1.49 1000 Water 42.2 360 1000 Soil 56.7 720 1000 Sediment 0.211 3.24e+003 0 Persistence Time: 162 hr
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