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Trimethyl[(2-pentyl-1-cyclopenten-1-yl)oxy]silane
O(\C1=C(/CCCCC)CCC1)[Si](C)(C)C
InChI=1S/C13H26OSi/c1-5-6-7-9-12-10-8-11-13(12)14-15(2,3)4/h5-11H2,1-4H3
VZCAYJPFRCIHSI-UHFFFAOYSA-N
CSID:9141426, http://www.chemspider.com/Chemical-Structure.9141426.html (accessed 07:49, 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) = 6.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 254.07 (Adapted Stein & Brown method) Melting Pt (deg C): 34.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0178 (Modified Grain method) Subcooled liquid VP: 0.0216 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): 0.2182 log Kow used: 6.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 52.953 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.53E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.431E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.05 (KowWin est) Log Kaw used: 1.488 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.562 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7482 Biowin2 (Non-Linear Model) : 0.8371 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9971 (weeks ) Biowin4 (Primary Survey Model) : 3.7901 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2970 Biowin6 (MITI Non-Linear Model): 0.1815 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0560 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): 2.88 Pa (0.0216 mm Hg) Log Koa (Koawin est ): 4.562 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.04E-006 Octanol/air (Koa) model: 8.95E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.76E-005 Mackay model : 8.33E-005 Octanol/air (Koa) model: 7.16E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 118.1147 E-12 cm3/molecule-sec Half-Life = 0.091 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.087 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 48.059372 E-17 cm3/molecule-sec Half-Life = 0.024 Days (at 7E11 mol/cm3) Half-Life = 34.337 Min Fraction sorbed to airborne particulates (phi): 6.05E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.29E+004 Log Koc: 4.360 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 = 3.956 (BCF = 9032) log Kow used: 6.05 (estimated) Volatilization from Water: Henry LC: 0.753 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.537 hours Half-Life from Model Lake : 142.9 hours (5.956 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.41 percent Total biodegradation: 0.22 percent Total sludge adsorption: 61.13 percent Total to Air: 38.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0424 0.453 1000 Water 7.26 360 1000 Soil 36.2 720 1000 Sediment 56.5 3.24e+003 0 Persistence Time: 743 hr
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