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(3-Butyn-1-yloxy)(triisopropyl)silane
CC(C)[Si](C(C)C)(C(C)C)OCCC#C
InChI=1S/C13H26OSi/c1-8-9-10-14-15(11(2)3,12(4)5)13(6)7/h1,11-13H,9-10H2,2-7H3
FUQIYPUEGRNUJJ-UHFFFAOYSA-N
CSID:9032455, http://www.chemspider.com/Chemical-Structure.9032455.html (accessed 06:27, Jun 17, 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) = 5.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 216.54 (Adapted Stein & Brown method) Melting Pt (deg C): 3.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.156 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.006 log Kow used: 5.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 53.171 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Propargyl Alcohols Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.57E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.620E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.27 (KowWin est) Log Kaw used: 0.021 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.249 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6397 Biowin2 (Non-Linear Model) : 0.4485 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6988 (weeks-months) Biowin4 (Primary Survey Model) : 3.5210 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0122 Biowin6 (MITI Non-Linear Model): 0.0344 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0869 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): 19.3 Pa (0.145 mm Hg) Log Koa (Koawin est ): 5.249 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.55E-007 Octanol/air (Koa) model: 4.36E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.6E-006 Mackay model : 1.24E-005 Octanol/air (Koa) model: 3.48E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.6825 E-12 cm3/molecule-sec Half-Life = 0.433 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.200 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec Half-Life = 382.000 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 9.01E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.938E+004 Log Koc: 4.287 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 = 3.357 (BCF = 2277) log Kow used: 5.27 (estimated) Volatilization from Water: Henry LC: 0.0257 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.57 hours Half-Life from Model Lake : 143.3 hours (5.971 days) Removal In Wastewater Treatment: Total removal: 94.91 percent Total biodegradation: 0.34 percent Total sludge adsorption: 63.01 percent Total to Air: 31.56 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.619 10.4 1000 Water 6.63 900 1000 Soil 65.9 1.8e+003 1000 Sediment 26.8 8.1e+003 0 Persistence Time: 1.14e+003 hr
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