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(Cyclohexylmethyl)(dimethoxy)silane
CO[SiH](CC1CCCCC1)OC
InChI=1S/C9H20O2Si/c1-10-12(11-2)8-9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3
XRLIOAUFFCHSIC-UHFFFAOYSA-N
CSID:2341373, http://www.chemspider.com/Chemical-Structure.2341373.html (accessed 05:11, Jun 1, 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) = 2.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 216.40 (Adapted Stein & Brown method) Melting Pt (deg C): -20.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.158 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 204.2 log Kow used: 2.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 51417 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.08E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.917E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.80 (KowWin est) Log Kaw used: -1.070 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.870 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6579 Biowin2 (Non-Linear Model) : 0.5828 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7830 (weeks ) Biowin4 (Primary Survey Model) : 3.5760 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3131 Biowin6 (MITI Non-Linear Model): 0.1994 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1423 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): 19.5 Pa (0.146 mm Hg) Log Koa (Koawin est ): 3.870 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.54E-007 Octanol/air (Koa) model: 1.82E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.57E-006 Mackay model : 1.23E-005 Octanol/air (Koa) model: 1.46E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.5982 E-12 cm3/molecule-sec Half-Life = 0.787 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.439 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.95E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5512 Log Koc: 3.741 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 = 1.455 (BCF = 28.49) log Kow used: 2.80 (estimated) Volatilization from Water: Henry LC: 0.00208 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.787 hours Half-Life from Model Lake : 134.6 hours (5.607 days) Removal In Wastewater Treatment: Total removal: 47.35 percent Total biodegradation: 0.07 percent Total sludge adsorption: 3.06 percent Total to Air: 44.21 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.35 18.9 1000 Water 29.2 360 1000 Soil 64.1 720 1000 Sediment 0.339 3.24e+003 0 Persistence Time: 225 hr
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