- Double-bond stereo
(3Z)-3-Hexen-3-yl(trimethyl)silane
CC/C=C(/CC)\[Si](C)(C)C
InChI=1S/C9H20Si/c1-6-8-9(7-2)10(3,4)5/h8H,6-7H2,1-5H3/b9-8-
OKJXAQIRDYISFU-HJWRWDBZSA-N
CSID:559024, http://www.chemspider.com/Chemical-Structure.559024.html (accessed 20:44, Apr 19, 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) = 5.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 142.96 (Adapted Stein & Brown method) Melting Pt (deg C): -61.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.55 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.705 log Kow used: 5.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.44535 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.62E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.082E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.02 (KowWin est) Log Kaw used: 1.595 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.425 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6731 Biowin2 (Non-Linear Model) : 0.6875 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8537 (weeks ) Biowin4 (Primary Survey Model) : 3.6222 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3541 Biowin6 (MITI Non-Linear Model): 0.2683 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4167 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): 679 Pa (5.09 mm Hg) Log Koa (Koawin est ): 3.425 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.42E-009 Octanol/air (Koa) model: 6.53E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.6E-007 Mackay model : 3.54E-007 Octanol/air (Koa) model: 5.23E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 89.5514 E-12 cm3/molecule-sec Half-Life = 0.119 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.433 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 2.57E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1063 Log Koc: 3.027 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 = 3.162 (BCF = 1451) log Kow used: 5.02 (estimated) Volatilization from Water: Henry LC: 0.962 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.277 hours Half-Life from Model Lake : 118.8 hours (4.949 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.81 percent Total biodegradation: 0.15 percent Total sludge adsorption: 48.54 percent Total to Air: 51.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.828 1.62 1000 Water 29.5 360 1000 Soil 34.5 720 1000 Sediment 35.2 3.24e+003 0 Persistence Time: 204 hr
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