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- Double-bond stereo
[(1E)-3-Cyclohexylidene-1-buten-1-yl](trimethyl)silane
C(=C/C(=C1\CCCCC1)C)\[Si](C)(C)C
InChI=1S/C13H24Si/c1-12(10-11-14(2,3)4)13-8-6-5-7-9-13/h10-11H,5-9H2,1-4H3/b11-10+
YFGLCQQFNIUNPD-ZHACJKMWSA-N
CSID:9656022, http://www.chemspider.com/Chemical-Structure.9656022.html (accessed 05:22, Apr 24, 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) = 6.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 241.07 (Adapted Stein & Brown method) Melting Pt (deg C): 0.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0438 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.07389 log Kow used: 6.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.061023 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.11E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.626E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.71 (KowWin est) Log Kaw used: 1.657 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.053 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6483 Biowin2 (Non-Linear Model) : 0.5123 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7386 (weeks-months) Biowin4 (Primary Survey Model) : 3.5470 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2047 Biowin6 (MITI Non-Linear Model): 0.1021 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2293 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): 5.6 Pa (0.042 mm Hg) Log Koa (Koawin est ): 5.053 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.36E-007 Octanol/air (Koa) model: 2.77E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.93E-005 Mackay model : 4.29E-005 Octanol/air (Koa) model: 2.22E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 267.1216 E-12 cm3/molecule-sec Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.830 Min Ozone Reaction: OVERALL Ozone Rate Constant = 222.446243 E-17 cm3/molecule-sec Half-Life = 0.005 Days (at 7E11 mol/cm3) Half-Life = 7.419 Min Fraction sorbed to airborne particulates (phi): 3.11E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.185E+004 Log Koc: 4.074 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 = 4.466 (BCF = 2.921e+004) log Kow used: 6.71 (estimated) Volatilization from Water: Henry LC: 1.11 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.474 hours Half-Life from Model Lake : 137.1 hours (5.714 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.73 percent Total biodegradation: 0.30 percent Total sludge adsorption: 66.28 percent Total to Air: 32.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00268 0.11 1000 Water 2.46 900 1000 Soil 27.6 1.8e+003 1000 Sediment 69.9 8.1e+003 0 Persistence Time: 2.54e+003 hr
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