Try beta.chemspider
Trimethoxy{1-[(2-methyl-2-propen-1-yl)oxy]propyl}silane
CCC(OCC(=C)C)[Si](OC)(OC)OC
InChI=1S/C10H22O4Si/c1-7-10(14-8-9(2)3)15(11-4,12-5)13-6/h10H,2,7-8H2,1,3-6H3
HLOAXGLFTQFWPW-UHFFFAOYSA-N
CSID:11519773, http://www.chemspider.com/Chemical-Structure.11519773.html (accessed 20:40, Aug 3, 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) = 0.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 228.30 (Adapted Stein & Brown method) Melting Pt (deg C): 7.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0854 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5263 log Kow used: 0.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.68E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.004E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.86 (KowWin est) Log Kaw used: -3.823 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.683 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2886 Biowin2 (Non-Linear Model) : 0.0230 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6726 (weeks-months) Biowin4 (Primary Survey Model) : 3.4999 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0790 Biowin6 (MITI Non-Linear Model): 0.0312 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0799 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): 10.7 Pa (0.0803 mm Hg) Log Koa (Koawin est ): 4.683 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.8E-007 Octanol/air (Koa) model: 1.18E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.01E-005 Mackay model : 2.24E-005 Octanol/air (Koa) model: 9.46E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 77.0497 E-12 cm3/molecule-sec Half-Life = 0.139 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.666 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 1.63E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1293 Log Koc: 3.112 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 = 0.500 (BCF = 3.162) log Kow used: 0.86 (estimated) Volatilization from Water: Henry LC: 3.68E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 245.1 hours (10.21 days) Half-Life from Model Lake : 2802 hours (116.8 days) Removal In Wastewater Treatment: Total removal: 2.08 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 percent Total to Air: 0.21 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.28 2.91 1000 Water 51.1 900 1000 Soil 48.5 1.8e+003 1000 Sediment 0.105 8.1e+003 0 Persistence Time: 560 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight