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Trimethyl{[2-(4-methyl-3-cyclohexen-1-yl)-2-propanyl]oxy}silane
CC1=CCC(CC1)C(C)(C)O[Si](C)(C)C
InChI=1S/C13H26OSi/c1-11-7-9-12(10-8-11)13(2,3)14-15(4,5)6/h7,12H,8-10H2,1-6H3
QFMNBGCPRJYFNY-UHFFFAOYSA-N
CSID:506623, http://www.chemspider.com/Chemical-Structure.506623.html (accessed 06:49, 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) = 5.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 234.30 (Adapted Stein & Brown method) Melting Pt (deg C): 19.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0625 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.3503 log Kow used: 5.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 132.91 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.49E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.316E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.81 (KowWin est) Log Kaw used: 0.589 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.221 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4558 Biowin2 (Non-Linear Model) : 0.1268 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4867 (weeks-months) Biowin4 (Primary Survey Model) : 3.3676 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1864 Biowin6 (MITI Non-Linear Model): 0.0528 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3697 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): 7.91 Pa (0.0593 mm Hg) Log Koa (Koawin est ): 5.221 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.79E-007 Octanol/air (Koa) model: 4.08E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.37E-005 Mackay model : 3.04E-005 Octanol/air (Koa) model: 3.27E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 102.4201 E-12 cm3/molecule-sec Half-Life = 0.104 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.253 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 2.2E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.546E+004 Log Koc: 4.189 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 = 3.770 (BCF = 5894) log Kow used: 5.81 (estimated) Volatilization from Water: Henry LC: 0.0949 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.545 hours Half-Life from Model Lake : 143 hours (5.96 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.50 percent Total biodegradation: 0.34 percent Total sludge adsorption: 66.90 percent Total to Air: 30.26 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0229 0.51 1000 Water 4.43 900 1000 Soil 46.5 1.8e+003 1000 Sediment 49 8.1e+003 0 Persistence Time: 1.61e+003 hr
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