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[(4,4-Dimethyl-1-hepten-6-yn-3-yl)oxy](triisopropyl)silane
C#CCC(C(O[Si](C(C)C)(C(C)C)C(C)C)\C=C)(C)C
InChI=1S/C18H34OSi/c1-11-13-18(9,10)17(12-2)19-20(14(3)4,15(5)6)16(7)8/h1,12,14-17H,2,13H2,3-10H3
BUVCUUQXGDHUQD-UHFFFAOYSA-N
CSID:9945554, http://www.chemspider.com/Chemical-Structure.9945554.html (accessed 15:43, Apr 26, 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) = 7.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 275.17 (Adapted Stein & Brown method) Melting Pt (deg C): 42.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00505 (Modified Grain method) Subcooled liquid VP: 0.00722 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): 0.006279 log Kow used: 7.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.60956 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.88E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.117E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.40 (KowWin est) Log Kaw used: 0.508 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.892 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4234 Biowin2 (Non-Linear Model) : 0.0523 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3361 (weeks-months) Biowin4 (Primary Survey Model) : 3.2693 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2280 Biowin6 (MITI Non-Linear Model): 0.0049 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9927 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): 0.963 Pa (0.00722 mm Hg) Log Koa (Koawin est ): 6.892 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.12E-006 Octanol/air (Koa) model: 1.91E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000113 Mackay model : 0.000249 Octanol/air (Koa) model: 0.000153 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.7449 E-12 cm3/molecule-sec Half-Life = 0.188 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.262 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.203000 E-17 cm3/molecule-sec Half-Life = 0.953 Days (at 7E11 mol/cm3) Half-Life = 22.863 Hrs Fraction sorbed to airborne particulates (phi): 0.000181 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.748E+005 Log Koc: 5.439 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 = 4.257 (BCF = 1.806e+004) log Kow used: 7.40 (estimated) Volatilization from Water: Henry LC: 0.0788 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.764 hours Half-Life from Model Lake : 163.2 hours (6.798 days) Removal In Wastewater Treatment: Total removal: 94.29 percent Total biodegradation: 0.75 percent Total sludge adsorption: 91.35 percent Total to Air: 2.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.059 3.78 1000 Water 1.99 900 1000 Soil 28.7 1.8e+003 1000 Sediment 69.2 8.1e+003 0 Persistence Time: 3e+003 hr
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