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Bis(hexyloxy)(dimethyl)silane
CCCCCCO[Si](C)(C)OCCCCCC
InChI=1S/C14H32O2Si/c1-5-7-9-11-13-15-17(3,4)16-14-12-10-8-6-2/h5-14H2,1-4H3
AIBXROJFINODCQ-UHFFFAOYSA-N
CSID:458405, http://www.chemspider.com/Chemical-Structure.458405.html (accessed 02:52, Apr 30, 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) = 5.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 277.95 (Adapted Stein & Brown method) Melting Pt (deg C): 37.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0048 (Modified Grain method) Subcooled liquid VP: 0.00624 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): 0.4186 log Kow used: 5.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36.219 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.01E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.930E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.50 (KowWin est) Log Kaw used: -0.085 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.585 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8404 Biowin2 (Non-Linear Model) : 0.9524 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2202 (weeks ) Biowin4 (Primary Survey Model) : 4.0100 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4330 Biowin6 (MITI Non-Linear Model): 0.3494 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1422 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): 0.832 Pa (0.00624 mm Hg) Log Koa (Koawin est ): 5.585 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.61E-006 Octanol/air (Koa) model: 9.44E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00013 Mackay model : 0.000288 Octanol/air (Koa) model: 7.55E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.6409 E-12 cm3/molecule-sec Half-Life = 0.349 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.189 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000209 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.744E+004 Log Koc: 4.942 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 = 2.532 (BCF = 340.3) log Kow used: 5.50 (estimated) Volatilization from Water: Henry LC: 0.0201 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.694 hours Half-Life from Model Lake : 153.8 hours (6.409 days) Removal In Wastewater Treatment: Total removal: 94.21 percent Total biodegradation: 0.45 percent Total sludge adsorption: 71.29 percent Total to Air: 22.47 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.849 8.38 1000 Water 9.97 360 1000 Soil 57.6 720 1000 Sediment 31.6 3.24e+003 0 Persistence Time: 586 hr
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