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2,2-Dimethyl-7-propyl-2,3,6,7-tetrahydro-1,2-oxasilepine
CCCC1CC=CC[Si](O1)(C)C
InChI=1S/C10H20OSi/c1-4-7-10-8-5-6-9-12(2,3)11-10/h5-6,10H,4,7-9H2,1-3H3
VJCABBOHXCBYKU-UHFFFAOYSA-N
CSID:10163358, http://www.chemspider.com/Chemical-Structure.10163358.html (accessed 05:34, Jun 1, 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) = 4.39 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 190.52 (Adapted Stein & Brown method) Melting Pt (deg C): 25.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.524 (Modified Grain method) Subcooled liquid VP: 0.526 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9.393 log Kow used: 4.39 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 679.55 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.44E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.353E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.39 (KowWin est) Log Kaw used: 0.148 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.242 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6598 Biowin2 (Non-Linear Model) : 0.5965 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7918 (weeks ) Biowin4 (Primary Survey Model) : 3.5818 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3280 Biowin6 (MITI Non-Linear Model): 0.1856 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3017 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): 70.1 Pa (0.526 mm Hg) Log Koa (Koawin est ): 4.242 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.28E-008 Octanol/air (Koa) model: 4.29E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.55E-006 Mackay model : 3.42E-006 Octanol/air (Koa) model: 3.43E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 79.5082 E-12 cm3/molecule-sec Half-Life = 0.135 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.614 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 2.48E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4186 Log Koc: 3.622 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 = 2.678 (BCF = 476.7) log Kow used: 4.39 (estimated) Volatilization from Water: Henry LC: 0.0344 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.409 hours Half-Life from Model Lake : 129.2 hours (5.384 days) Removal In Wastewater Treatment: Total removal: 94.81 percent Total biodegradation: 0.13 percent Total sludge adsorption: 31.69 percent Total to Air: 62.98 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.281 0.964 1000 Water 20.7 360 1000 Soil 72.8 720 1000 Sediment 6.2 3.24e+003 0 Persistence Time: 297 hr
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