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3,3-Dimethyl-2,3-dihydro-1,3-benzoxasilole
O2c1ccccc1[Si](C2)(C)C
InChI=1S/C9H12OSi/c1-11(2)7-10-8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3
FSAWYTLJVXDHSM-UHFFFAOYSA-N
CSID:9291526, http://www.chemspider.com/Chemical-Structure.9291526.html (accessed 09:52, Apr 30, 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) = 3.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 191.41 (Adapted Stein & Brown method) Melting Pt (deg C): 23.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.553 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 37.76 log Kow used: 3.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 184.52 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.68E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.166E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.79 (KowWin est) Log Kaw used: -1.960 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.750 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8012 Biowin2 (Non-Linear Model) : 0.9490 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7780 (weeks ) Biowin4 (Primary Survey Model) : 3.6878 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4721 Biowin6 (MITI Non-Linear Model): 0.4655 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3532 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): 67.2 Pa (0.504 mm Hg) Log Koa (Koawin est ): 5.750 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.46E-008 Octanol/air (Koa) model: 1.38E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.61E-006 Mackay model : 3.57E-006 Octanol/air (Koa) model: 1.1E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 25.8142 E-12 cm3/molecule-sec Half-Life = 0.414 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.972 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.59E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 556.5 Log Koc: 2.746 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 = 2.220 (BCF = 166) log Kow used: 3.79 (estimated) Volatilization from Water: Henry LC: 0.000268 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.108 hours Half-Life from Model Lake : 152.3 hours (6.345 days) Removal In Wastewater Treatment: Total removal: 29.32 percent Total biodegradation: 0.23 percent Total sludge adsorption: 20.24 percent Total to Air: 8.85 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.29 9.94 1000 Water 18.4 360 1000 Soil 78.8 720 1000 Sediment 1.5 3.24e+003 0 Persistence Time: 430 hr
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